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Blue Waters Projects

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PRAC

The Computational Microscope

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Lattice QCD on Blue Waters

Robert Sugar, University of California, Santa Barbara
 

Ab Initio Models of Solar Activity

Robert F. Stein, Michigan State University
 

Using Petascale Computing Capabilities to Address Climate Change Uncertainties

Donald J. Wuebbles, University of Illinois at Urbana-Champaign
 

Petascale Quantum Simulations of Nano Systems and Biomolecules

Jerzy Bernholc, North Carolina State University at Raleigh
 

Accelerating Nano-scale Transistor Innovation

Gerhard Klimeck, Purdue University
 

Petascale Research in Earthquake System Science on Blue Waters (PressOn)

Thomas Jordan, University of Southern California
 

Simulating vesicle fusion on Blue Waters

Vijay Pande, Stanford University
 

Petascale plasma physics simulations using PIC codes

Warren Mori, University of California, Los Angeles
 

Direct Numerical Simulation of Fully Resolved Vaporizing Droplets in a Turbulent Flow

Said Elghobashi, University of California, Irvine
 

Hierarchical molecular dynamics sampling for assessing pathways and free energies of RNA catalysis, ligand binding, and conformal change

Thomas Cheatham, University of Utah
 

Ultra-Coarse-Grained Simulations of Biomolecular Processes at the Petascale

Gregory Voth, University of Chicago
 

Petascale Simulation of Turbulent Stellar Hydrodynamics

Paul R. Woodward, University of Minnesota
 

Type Ia Supernovae

Stan Woosley, University of California, Santa Cruz
 

Modeling Heliophysics and Astrophysics Phenomena with a Multi-Scale Fluid-Kinetic Simulation Suite

Nikolai Pogorelov, University of Alabama, Huntsville
 

Evolution of the Small Galaxy Population From High Redshift to the Present

Thomas Quinn, University of Washington
 

From Binary Systems and Stellar Core Collapse To Gamma-Ray Bursts

Peter Diener, Louisiana State University
 

System Software for Scalable Applications

Bill Gropp, University of Illinois at Urbana-Champaign
 

Petascale Simulations of Complex Biological Behavior in Fluctuating Environments

Ilias Tagkopoulos, University of California, Davis
 

Collaborative Research: Testing Hypotheses about Climate Prediction at Unprecedented Resolutions Using the Blue Waters System

Cristiana Stan, Center for Ocean-Land-Atmosphere Studies
 

Computational Relativity and Gravitation at Petascale: Simulating and Visualizing Astrophysically Realistic Compact Binaries

Manuela Campanelli, Rochester Institute of Technology
 

Breakthrough Petascale Quantum Monte Carlo Calculations

Shiwei Zhang, College of William and Mary
 

Petascale Computations for Complex Turbulent Flows at High Reynolds Number

Pui-kuen Yeung, Georgia Institute of Technology
 

Peta-Cosmology: galaxy formation and virtual astronomy

Kentaro Nagamine, University of Nevada-Las Vegas
 

Collaborative Research: Petascale Design and Management of Satellite Assets to Advance Space Based Earth Science

Patrick Reed, Cornell University
 

Core-Collapse Supernovae Through Cosmic Time

Eric Lentz, University of Tennessee, Knoxville
 

Petascale Simulations of Core-Collapse Supernovae and Hypermassive Neutron Stars

Christian Ott, California Institute of Technology
 

Enabling Breakthrough Kinetic Simulations of the Magnetosphere via Petascale Computing

Homayoun Karimabadi, University of California, San Diego
 

Shock-induced turbulent multi-material mixing

Sanjiva Lele, Stanford University
 

Unveiling allosteric pathways in ion channels

Michael Klein, Temple University
 

Introducing a Means to Characterize Location-Specific Space Weather Hazards of Societal Significance in the Near-Earth Environment

Jamesina Simpson, University of Utah
 

Three Dimensional Modeling of Core-Collapse Supernovae

Adam Burrows, Princeton University
 

Structural and Dynamical Determinants of Influenza Pathogenicity and Virulence

Rommie Amaro, University of California, San Diego
 

Optimizing experimental approaches to Ebola membrane fusion inhibitor peptide design through high-throughput biomolecular simulation workflows on Blue Waters.

Thomas Cheatham, University of Utah
 

Simulation-Based Policy Analysis for Reducing Ebola Transmission Risk in Air Travel

Ashok Srinivasan, Florida State University
 

Development of rapid in-field Ebola infection screening guided by biomolecular simulation and collaborative remote visualization

Klaus Schulten, University of Illinois at Urbana-Champaign
 

Investigating the Role of Turbulence in Hastening Warm-Cloud Precipitation

Sarma Rani, University of Alabama, Huntsville
 

Big Data on Small Organisms: Petascale Simulations of Data-driven, Whole-cell Microbial Models

Ilias Tagkopoulos, University of California, Davis
 

Collaborative Research: The Power of Many: Scalable Compute and Data-Intensive Science on Blue Waters

Shantenu Jha, Rutgers, the State University of New Jersey
 

Large-scale, long-time molecular dynamics simulation of crystal growth: From close-packing to clathrates and quasicrystals

Sharon Glotzer, University of Michigan
 

Petascale Adaptive Mesh Simulations of Milky Way-type Galaxies and Their Environments

Brian O'Shea, Michigan State University
 

Sequence Similarity Networks for the Protein Universe

John Gerlt, University of Illinois at Urbana-Champaign
 

Predicting protein structures with physical petascale molecular simulations

Ken Dill, SUNY at Stony Brook
 

Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics

Michael Norman, University of California, San Diego
 

4-D Geodynamic Modeling With Data Assimilation: Origin Of Intra-Plate Volcanism In The Pacific Northwest

Lijun Liu, University of Illinois at Urbana-Champaign
 

Collaborative Research: Predicting the Transient Signals from Galactic Centers: Circumbinary Disks and Tidal Disruptions around Black Holes

Scott Noble, University of Tulsa
 

Ensembles of molecular dynamics engines for assessing force fields, conformational change, and free energies of proteins and nucleic acids

Thomas Cheatham, University of Utah
 

Collaborative Research: Innovative ab initio symmetry-adapted no-core shell model for advancing fundamental physics and astrophysics

Jerry Draayer, Louisiana State University
 

3-D Simulations of i-Process Nucleosynthesis in the Early Universe

Paul R. Woodward, University of Minnesota
 

High Resolution Earth System Modeling Using Blue Waters Capabilities

Robert Rauber, University of Illinois at Urbana-Champaign
 

Petascale Cosmology with Gadget: Modeling the Formation of the First Quasars with Blue Waters

Tiziana Di Matteo, Carnegie Mellon University
 

Formation of the First Galaxies: Predictions for the Next Generation of Observatories

Brian O'Shea, Michigan State University
 

Petascale Polar Topography Production

Paul Morin, University of Minnesota
 

Ion channels response in physiological conditions: toward a computational framework for nociception

Vincenzo Carnevale, Temple University
 

Transformative Petascale Particle-in-cell simulations

Warren Mori, University of California, Los Angeles
 

Modeling Physical Processes in the Solar Wind and Local Interstellar Medium with Multi-Scale Fluid-Kinetic Simulation Suite

Nikolai Pogorelov, University of Alabama, Huntsville
 

High Energy Physics on Blue Waters

Paul Mackenzie, Fermi National Accelerator Laboratory
 

Massively-parallel Electronic Structure Calculations for Energy Applications

Sohrab Ismail-Beigi, Yale University
 

GPU-Enabled General Relativistic Simulations of Misaligned Black Hole Accretion Systems

Alexander Tchekhovskoy, Northwestern University
 

The First Billion Years: a Petascale Universe of Galaxies and Quasars

Tiziana Di Matteo, Carnegie Mellon University
 

Position-Dependent Space Weather Hazards of Societal Significance in the Earth-Ionosphere Waveguide

Jamesina Simpson, University of Utah
 

Data-driven, biologically constrained computational model of the hippocampal network at full scale

Ivan Soltesz, Stanford University
 

Study of energy dissipation in plasma turbulence with application to solar wind

Vadim Roytershteyn, Space Science Institute
 

Local physics control of the x-line orientation in three-dimensional asymmetric magnetic reconnection

Yi-Hsin Liu, University of Maryland, College Park
 

Advanced Space Weather Modeling

Gabor Toth, University of Michigan
 

Advanced Nanoelectronic Device Design with Atomistic Simulations

Gerhard Klimeck, Purdue University
 

Path Integral Monte Carlo Simulations of Dense Plasma

Burkhard Militzer, University of California, Berkeley
 

The free energy landscapes governing the function of complex biomolecular machines

Benoit Roux, University of Chicago
 

Collaborative Research: Petascale Simulation of Viral Infection Propagation Through Air Travel

Ashok Srinivasan, Florida State University
 

DNS of Pressure Fluctuations Induced by Supersonic Turbulent Boundary Layers

Lian Duan, Missouri University of Science and Technology
 

Understanding the development and evolution of violent tornadoes in supercell thunderstorms

Leigh G. Orf, University of Wisconsin-Madison
 

Unified Modeling of Galaxy Populations in Clusters

Thomas Quinn, University of Washington
 

A Penultimate Petascale Computational Laboratory for Turbulence and Magnetohydrodynamic Turbulence

Pui-kuen Yeung, Georgia Institute of Technology
 

Petaflops simulation and design of nanoscale materials and devices

Jerzy Bernholc, North Carolina State University at Raleigh
 

RAPID - Topographic Change and Cascading Hazards Following the Mw7.8 Kaikoura (New Zealand) Earthquake

Marin Clark, University of Michigan
 

Simulating Faintest Galaxies in the JWST Era

Nickolay Gnedin, University of Chicago
 

The Computational Microscope

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

More Power to the Many: Scalable Ensemble-based Simulations and Data Analysis

Shantenu Jha, Rutgers, the State University of New Jersey
 

Improving Earthquake Forecasting and Seismic Hazard Analysis Through Extreme-Scale Simulations

John Vidale, University of Southern California
 

Collabortive Research: Petascale Simulations of Merging Black Holes and Neutron Stars

Saul A. Teukolsky, Cornell University
 

Collaborative Research: Simulating Two-Fluid MHD Turbulence in Star Forming Molecular Clouds on the Blue Waters System

Dinshaw Balsara, University of Notre Dame
 

Probing New Physics in Galaxy Formation at Ultra-High Resolution

Philip Hopkins, California Institute of Technology
 

Mapping Proton Quark Structure using Petabytes of COMPASS data

Caroline Riedl, University of Illinois at Urbana-Champaign
 

Impact of Stellar structure on Core-collapse Supernovae and their Ejecta

Eric Lentz, University of Tennessee, Knoxville
 

Collaborative Research: Advancing first-principle symmetry-guided nuclear modeling for studies of nucleosynthesis and fundamental symmetries in nature

Jerry Draayer, Louisiana State University
 

High Resolution Earth System Modeling for International Climate Assessment

Ryan Sriver, University of Illinois at Urbana-Champaign
 

3-D Stellar Hydrodynamics Simulations for Convective-Reactive Nucleosynthesis

Paul R. Woodward, University of Minnesota
 

Petascale integrative approaches to protein structure prediction

Ken Dill, SUNY at Stony Brook
 

Continuation of Petascale Simulation of HED Plasmas

Warren Mori, University of California, Los Angeles
 

Data-driven, biologically constrained biophysical computational model of the hippocampal network at full scale

Ivan Soltesz, Stanford University
 

Structural and Dynamical Determinants of Influenza Transmissibility

Rommie Amaro, University of California, San Diego
 

Three-Dimensional Simulations of Core-Collapse Supernovae

Adam Burrows, Princeton University
 

Collaborative Research: Petascale Simulations of Binary Neutron Star Mergers

Philipp Moesta, University of California, Berkeley
 

Collaborative Research: Photons from Binary Black Hole Inspirals

Manuela Campanelli, Rochester Institute of Technology
 

Probing the Fossils of the Local Group using Petascale Adaptive Mesh Galaxy Simulations

Brian O'Shea, Michigan State University
 

Realistic Simulations of the Intergalactic Medium: The Search for Missing Physics - Part 2

Michael Norman, University of California, San Diego
 

Molecular and Coarse-Grained Simulations of Biomolecular Processes at the Petascale

Gregory Voth, University of Chicago
 

Direct Numerical Simulation of Reverse Transition in Rotating Pipe Flow

Christoph Brehm, University of Kentucky
 

Petascale World Topography Production

Paul Morin, University of Minnesota
 

PRAC Supplement: Simulating Two-Fluid MHD Turbulence in Star Forming Molecular Clouds on the Blue Waters System

Dinshaw Balsara, University of Notre Dame
 

Understanding the partitioning of surface-active material in marine aerosols

Kimberly Prather, University of California, San Diego
 

Full-scale parameter optimization of biologically constrained biophysical computational model of the hippocampal network

Ivan Soltesz, Stanford University
 

Solutions to the Core-Collapse Supernova Problem from Theory

Adam Burrows, Princeton University
 

Realistic Accretion Dynamics of Black Hole Binaries Approaching Merger

Manuela Campanelli, Rochester Institute of Technology
 

The next frontier for massive galaxies and quasars at the Cosmic Dawn

Tiziana Di Matteo, Carnegie Mellon University
 

Computational Studies of Protein-Protein Interactions

Benoit Roux, University of Chicago
 

Petascale Supercell Simulations

Leigh G. Orf, University of Wisconsin-Madison
 

Quark and gluon structure of nucleons and nuclei

Phiala Shanahan, Massachusetts Institute of Technology
 

Multi-Time-Scale Climate Dynamics in California (CA): An Integrated Multi-Proxy Stalagmite, Monitoring, and Modeling Approach

Clay Tabor, University of Connecticut
 

GLCPC

Atomistic Modeling of Real World Nanoelectronics Devices

Gerhard Klimeck, Purdue University
 

Rotational Turbulence in Magnetized Cylindrical Couette Flow

Fausto Cattaneo, University of Chicago
 

The Mechanism of the Sarco/Endoplasmic Reticulum ATP-Driven Calcium Pump

Benoit Roux, University of Chicago
 

Scaling the Effects of Intermediate Disturbance and Changes to Small-Scale Ecosystem Structure on Ecosystem, Hydrology, Lake and Weather Interactions to the Scale of the Great-Lakes Region

Gil Bohrer, Ohio State University
 

Re-designing Communication and Work Distribution in Scientific Applications for Extreme-scale Heterogeneous Systems

Karen Tomko, Ohio State University
 

Implicitly-Parallel Functional Dataflow for Productive Hybrid Programming on Blue Waters

Michael Wilde, University of Chicago
 

Modeling of Peptide-mediated Ribosome Stalling with Antibiotics

Alexander Mankin, University of Illinois at Chicago
 

Next-Generation Ab Initio Symmetry-Adapted No-Core Shell Model and Its Impact on Nucleosynthesis

Jerry Draayer, Louisiana State University
 

Development of New Parameters for SEMO Methods for Transition Metals and Thorium

David Dixon, University of Alabama
 

Modeling the Bacterial Copper Transport Efflux Pump

Fatemeh Khalili-Araghi, University of Illinois at Chicago
 

Policy Responses to Climate Change in a Dynamic Stochastic Economy

Lars Hansen, University of Chicago
 

Comparing CAF and MPI-3 and Simulating Protostellar Core Formation with Two-fluid MHD

Dinshaw Balsara, University of Notre Dame
 

Many-GPU Simulations of Soft Matter Design

Sharon Glotzer, University of Michigan
 

High Pressure and High Temperature Properties of Minerals and Rocks

Renata Wentzcovitch, Columbia University
 

Petascale simulation of influenza fusion mechanisms

Peter Kasson, University of Virginia
 

Very High-Resolution Numerical Modeling for Climate Extremes in Midwest U.S.

Ashish Sharma, University of Illinois at Urbana-Champaign
 

Dissipation in Magnetized Plasma Turbulence: From Fluid to Kinetic Scales

Kiritkumar Makwana, University of Chicago
 

Large-Scale Learning for Video Understanding

Jia Deng, University of Michigan
 

Computational mapping of DNA-binding protein affinity landscapes

Lydia Freddolino, University of Michigan
 

Petascale Simulations of Fluid-Solid Heat Transfer for Sustainable Energy Applications

Shankar Subramaniam, Iowa State University
 

Confinement and Orientation Effects in Semi-flexible Polymer Structures

David Ackerman, Iowa State University
 

Petascale adaptive mesh simulations of Milky Way-type galaxies and their environments

Brian O'Shea, Michigan State University
 

Collisional N-body Simulations of Large-N Star Clusters

Sourav Chatterjee, Northwestern University
 

Paracellular Transport Mechanism in Tight Junctions

Fatemeh Khalili-Araghi, University of Illinois at Chicago
 

Comparing CAF and MPI-3 and Studying Fast Reconnection for Relativistic Two-Fluid Electrodynamics

Dinshaw Balsara, University of Notre Dame
 

Computational mapping of DNA-binding protein affinity landscapes

Lydia Freddolino, University of Michigan
 

Molecular Dynamics Simulations of Viral Capsids at Constant pH

Benoit Roux, University of Chicago
 

Molecular Dynamics Simulations of Cell-Cell Adhesion Complexes

Marcos Sotomayor, University of Chicago
 

Policy Responses to Climate Change in a Dynamic Stochastic World

Lars Hansen, University of Chicago
 

Towards Petascale High Fidelity MHD Simulation of Galaxy Cluster Formation

Thomas Jones, University of Minnesota
 

Thermodynamic Characterization of Conformational Landscape in Proton-Coupled Oligopeptide Transporters

Mahmoud Moradi, University of Arkansas
 

Petascale simulations to understand how viral membrane organization controls influenza entry

Peter Kasson, University of Virginia
 

Pushing the Dynamic Range: Simulating the Co-Evolution of Galaxies and Black Holes

Claude-Andre Faucher-Giguere, Northwestern University
 

Policy Responses to Climate Change in a Dynamic Stochastic Economy

Yongyang Cai, Ohio State University
 

Tilted Disks Around Black Holes: Elucidating the Alignment Mechanism

John Hawley, University of Virginia
 

Highly-scalable Open-source Solvers for Turbulent Combustion

Venkat Raman, University of Michigan
 

Towards a Resilient CAF and MPI-4 Programming Paradigm and Studying Two-Fluid Electrodynamic and MHD processes

Dinshaw Balsara, University of Notre Dame
 

Temporal Vegetation Elevation Ecosystem Model (MTVEEM)

Jennifer Corcoran, University of Minnesota, Twin Cities
 

Dispersion of fully resolved liquid droplets in isotropic turbulent flow

Said Elghobashi, University of California, Irvine
 

Numerical Simulations of Collapsing Cavitation Bubbles

Eric Johnsen, University of Michigan
 

Simulating the Atmospheric Response to a Wildland Fire using a Cloud-Resolving Model

Marshall Stageberg, Michigan State University
 

Simulating the Co-Evolution of Massive Galaxies and their Black Holes

Claude-Andre Faucher-Giguere, Northwestern University
 

Thermodynamic Characterization of Conformational Landscape in Proton-Coupled Oligopeptide Transporters

Mahmoud Moradi, University of Arkansas
 

Molecular Dynamics Simulations of Cell-Cell Adhesion Complexes

Marcos Sotomayor, University of Chicago
 

Using fusion peptide mutations to explain influenza viral fusion mechanisms

Peter Kasson, University of Virginia
 

Near-ground hazards associated with downburst-producing thunderstorms

Leigh G. Orf, University of Wisconsin-Madison
 

Temporal Vegetation Elevation Ecosystem Model (MTVEEM)

Jennifer Corcoran, University of Minnesota, Twin Cities
 

Tilted Disks Around Black Holes: Elucidating the Alignment Mechanism Renewal Proposal

John Hawley, University of Virginia
 

Revealing the molecular mechanisms of the early and late stages of the HIV-1 infection cycle through the computational microscope.

Juan Perilla, University of Delaware
 

Policy Responses to Climate Change in a Dynamic Stochastic Economy

Yongyang Cai, Ohio State University
 

Architecture of Tight Junctions and the Paracellular Transport Mechanism

Fatemeh Khalili-Araghi, University of Illinois at Chicago
 

Multilevel Parallelization of the Space Weather Modeling Framework

Gabor Toth, University of Michigan
 

GPU-Enhanced Highly Scalable Simulation of Rotating Detonation Engines

Venkat Raman, University of Michigan
 

Furthering characterization of the hepatitis B virus capsid as a drug target: Simulations to investigate quasi-equivalence and cooperativity in drug binding

Jodi Hadden, University of Delaware
 

Thermodynamic Characterization of Large-Conductance Mechanosensitive Channel Activation

Mahmoud Moradi, University of Arkansas
 

Inertial Collapse of Individual Bubbles near Solid/Free Boundaries

Eric Johnsen, University of Michigan
 

Illinois

Quantum Monte Carlo Calculations of Water-Graphene and Water-h-BN Interfaces

Narayana Aluru, University of Texas at Austin
 

Gravitational and Electromagnetic Signatures of Compact Binary Mergers: General Relativistic Simulations at the Petascale

Stuart Shapiro, University of Illinois at Urbana-Champaign
 

Feature Learning by Large-Scale Heterogeneous Networks with Application to Face Verification

Thomas S. Huang, University of Illinois at Urbana-Champaign
 

Molecular Mechanism of DNA Exchange

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Simulations of Cellulosomal Subunits: Components of a Molecular Machinery for Depolymerization of Feedstock for Production of Second Generation Biofuels

Isaac Cann, University of Illinois at Urbana-Champaign
 

New Advances in Cloud Modeling: How 3D Radiation Impacts Cloud Dynamics and Properties

Larry Di Girolamo, University of Illinois at Urbana-Champaign
 

Accurate Sequence Alignment Using Distributed Filtering on GPU Clusters

C. Victor Jongeneel, University of Illinois at Urbana-Champaign
 

Calculations of Single-Scattering Properties of Randomly Oriented Small Atmospheric Ice Crystals to Improve Representations of Ice Clouds in Satellite Retrieval Algorithms and Numerical Models

Greg McFarquhar, University of Illinois at Urbana-Champaign
 

The Dynamics of Protein Disorder and its Evolution

Gustavo Caetano-Anolles, University of Illinois at Urbana-Champaign
 

Parallel Programming Language and Library Research on Multicore Clusters

Marc Snir, University of Illinois at Urbana-Champaign
 

Semileptonic Kaon Decay Form Factors at the Physical Point

Aida X El-Khadra, University of Illinois at Urbana-Champaign
 

C. Crescentus Cell Division Using Our In-House Lattice Microbe Simulation Program AND Interactions Between Ribosomal Signatures and 5' and Central Domain of the Ribosomal Small Subunit Using NAMD 2.9 Accelerated by GPUs

Zaida Luthey-Schulten, University of Illinois at Urbana-Champaign
 

Fluid-Flow and Stress Analysis of Steel Continuous Casting

Brian Thomas, University of Illinois at Urbana-Champaign
 

Exploring the Physics of Geological Sequestration of Carbon Dioxide using High-Resolution Pore-Scale Simulation

Albert J. Valocchi, University of Illinois at Urbana-Champaign
 

Extreme Scale Astronomical Image Composition and Analysis

Robert J. Brunner, University of Illinois at Urbana-Champaign
 

Large-Scale Incremental Visual Learning Using Rich Feature Hierarchies

Svetlana Lazebnik, University of Illinois at Urbana-Champaign
 

Molecular Mechanism of Nucleosome Stability and Dynamics

Taekjip Ha, University of Illinois at Urbana-Champaign
 

Space-Time Simulation of Jet Crackle

David Buchta, University of Illinois at Urbana-Champaign
 

Scaling up of a Highly Parallel LBM-based Simulation tool (PRATHAM) for Meso- as well as Large-Scale Laminar and Turbulent Flow and Heat Transfer

Rizwan Uddin, University of Illinois at Urbana-Champaign
 

Computational Exploration of Unconventional Superconductors Using Quantum Monte Carlo

Lucas Wagner, University of Illinois at Urbana-Champaign
 

Sequence Similarity Networks for the Protein "Universe"

John Gerlt, University of Illinois at Urbana-Champaign
 

Numerical Simulations of Supercells and Embedded Tornadoes

Robert Wilhelmson, University of Illinois at Urbana-Champaign
 

The Bacterial Brain: All-Atom Description of Receptor Clustering and Cooperativity Within a Bacterial Chemoreceptor Array

Yann Chemla, University of Illinois at Urbana-Champaign
 

GPU-Based Parallel Computing Methods for Solving Large Scale Assignment Problems

Rakesh Nagi, University of Illinois at Urbana-Champaign
 

Quantum-Classical Path Integral Simulation of Proton and Electron Transfer

Nancy Makri, University of Illinois at Urbana-Champaign
 

Radio Interferometric Imaging in the Petascale Era: New Opportunties and Challenges

Athol Kemball, University of Illinois at Urbana-Champaign
 

Instrumenting Human Variant Calling Workflow on Blue Waters

Liudmila Mainzer, University of Illinois at Urbana-Champaign
 

Characterizing Structural Transitions of Membrane Transport Proteins at Atomic Details

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Efficient Scalable Climate Simulations in an Earth System Model via an Adaptive Parallel Runtime System

Atul Jain, University of Illinois at Urbana-Champaign
 

4D Dynamic Evolution of North American Continent

Lijun Liu, University of Illinois at Urbana-Champaign
 

High Performance Limit Order Book Construction: an Order Book Snapshot of Financial Markets With Nanosecond-Resolution Time Stamps

Mao Ye, University of Illinois at Urbana-Champaign
 

Variational Multiscale Methods for Non-Newtonian Viscoelastic Blood Flow Modeling: Application to Clot Formation and Dissolution in Patient Specific Models

Arif Masud, University of Illinois at Urbana-Champaign
 

Enabling Large Scale Irregular Computations of Sparse Data

Maria Jesus Garzaran, University of Illinois at Urbana-Champaign
 

Simulations of Replication and Translation on the Whole Cell Level

Zaida Luthey-Schulten, University of Illinois at Urbana-Champaign
 

Unveiling the Ultimate Limits of Thermal Conductivity in Nano Structured Low-Dimensional Superlattices Via Large Scale Non-Equilibrium Molecular Dynamics Simulations

Elif Ertekin, University of Illinois at Urbana-Champaign
 

Real-Time Magnetic Resonance Elastography via GPU-Accelerators

John Georgiadis, University of Illinois at Urbana-Champaign
 

Mechanics of Deformation in High Capacity Lithium-Ion Batteries

Huck Beng Chew, University of Illinois at Urbana-Champaign
 

Large Eddy Simulation of Sediment Transport and Hydrodynamics at River Bifurcations: Using a highly scalable spectral element based CFD code

Marcelo Garcia, University of Illinois at Urbana-Champaign
 

Fractal Patterns in Plasticity, Fracture, and Damage Phenomena

Martin Ostoja Starzewski, University of Illinois at Urbana-Champaign
 

Performance Analysis and Optimization of the OpenAtom CPAIMD Application

Laxmikant Kale, University of Illinois at Urbana-Champaign
 

Protein structure determination and refinement with raw NMR data

Chad Rienstra, University of Illinois at Urbana-Champaign
 

An Extreme-Scale Computational Approach to Redistricting Optimization

Shaowen Wang, University of Illinois at Urbana-Champaign
 

Scaling the Community Earth System Model (CESM) to ultra-high resolutions for analyzing tropical cyclone-climate feedbacks

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Genetic Algorithms and Participatory Democracy

Laurence Leff, Western Illinois University
 

Effects of Active Galaxy Feedback on the Evolution of Galaxy Clusters

Paul Ricker, University of Illinois at Urbana-Champaign
 

Elucidating the molecular details underlying charge-selectivity in pentameric Ligand Gated Ion Channels

Claudio Grosman, University of Illinois at Urbana-Champaign
 

Database of scattering properties of small ice crystals: implications for satellite retrieval algorithms and numerical models

Junshik Um, University of Illinois at Urbana-Champaign
 

Reconstruction of High-Resolution, Quantitative MRI Images in a Clinical Setting

Curtis Johnson, University of Illinois at Urbana-Champaign
 

High-performance Computing of Hypersonic, Shock-shock Interactions using Kinetic, Particle Approaches

Deborah Levin, University of Illinois at Urbana-Champaign
 

Development of a Hybrid CPU-GPU Computational Tool for Modeling Flows through Porous Media using Particle Methods

Deborah Levin, University of Illinois at Urbana-Champaign
 

The 26S Proteasome: A computational study of the waste recycler of the cell

Klaus Schulten, University of Illinois at Urbana-Champaign
 

Improving the accuracy of drug permeability calculations

Christopher Chipot, University of Illinois at Urbana-Champaign
 

Improving the resolution of brain blood flow imaging with advanced MRI acquisitions and computation

Brad Sutton, University of Illinois at Urbana-Champaign
 

Should Datacenters Converge and Supercomputers Converge?

Indranil Gupta, University of Illinois at Urbana-Champaign
 

High-Performance Hybrid Computation Platform for Astronomy Data Classification

Robert J. Brunner, University of Illinois at Urbana-Champaign
 

Material Discovery using Evolutionary Algorithms: Finding the Missing Ruthenium-based Ternary Phases for Breakthrough Applications in Energy Technologies

Santanu Chaudhuri, University of Illinois at Urbana-Champaign
 

Understanding the Effects of Confinement on Proteins

Eric Jakobsson, University of Illinois at Urbana-Champaign
 

Resolving Accretion Disk Turbulence

Charles Gammie, University of Illinois at Urbana-Champaign
 

Multiscale Modeling Of Bone Fracture and Strength

Iwona Jasiuk, University of Illinois at Urbana-Champaign
 

Harnessing petascale computing to elucidate fundamental mechanisms driving nanopatterning of multicomponent surfaces by directed irradiation synthesis

Jean Paul Allain, University of Illinois at Urbana-Champaign
 

Advancing genome-scale phylogenomic analysis

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Scaling a 3D particle-resolved aerosol model to address uncertainties in aerosol-atmosphere interactions

Matthew West, University of Illinois at Urbana-Champaign
 

4-D Geodynamic Modeling with Data Assimilation: Origin of Intra-Plate Volcanism in the Pacific Northwest

Lijun Liu, University of Illinois at Urbana-Champaign
 

Making ancestral trees using Bayesian inference to identify disease-causing genetic variants

Don Armstrong, University of Illinois at Urbana-Champaign
 

Large-scale Simulations of DNA nanostructures and synthetic membranes for protein/DNA integration

Narayana Aluru, University of Texas at Austin
 

Large Eddy Simulation of Sediment Transport and Hydrodynamics at River Bifurcations: Using a highly scalable spectral element based CFD solver

Marcelo Garcia, University of Illinois at Urbana-Champaign
 

VLSI Routing and Estimation Intern

Peter Yoon, Trinity College
 

The CADENS Blue Waters Visualization Project

Donna Cox, University of Illinois at Urbana-Champaign
 

Multiscale Modeling of Thermomechanical Changes in Food Biopolymers During Fluid Transport Processes

Pawan Takhar, University of Illinois at Urbana-Champaign
 

Quantitative models of bacterial evolution inferred from large number of draft genomes interactions

Sergei Maslov, University of Illinois at Urbana-Champaign
 

The Missing Moore Graph

Gul Abdulnabi Agha, University of Illinois at Urbana-Champaign
 

Non-Adiabatic Ultrafast Electron-Ion Dynamics Near Aluminum Surfaces

Andre Schleife, University of Illinois at Urbana-Champaign
 

Brain Mechanics and Fluid Intelligence: MR Elastography in the INSIGHT Study

Curtis Johnson, University of Illinois at Urbana-Champaign
 

Extreme-scale modeling - Understanding ecohydrologic dynamics under climate change

Praveen Kumar, University of Illinois at Urbana-Champaign
 

QMCDB: A Living Database to Accelerate Worldwide Development & Usage of Quantum Monte Carlo Methods

Elif Ertekin, University of Illinois at Urbana-Champaign
 

Removing Barriers to Extreme-Scale Analysis of Digitized Text Archives with Quality Scoring and Error Modeling Strategies

Scott Althaus, University of Illinois at Urbana-Champaign
 

Creating a Public Research Dataset for Millions of Books from the HathiTrust Digital Library

J. Stephen Downie, University of Illinois at Urbana-Champaign
 

Development of an HPC platform for Plasma-Material Interactions and Nanostrcturing

Davide Curreli, University of Illinois at Urbana-Champaign
 

An assessment of impacts of orientation, non-sphericity, and size of small atmospheric ice crystals on scattering property calculations to improve in-situ aircraft measurements, satellite retrievals, and climate models

Junshik Um, University of Illinois at Urbana-Champaign
 

Illinois allocation proposal: Numerical study of the many body localization transition

David Luitz, University of Illinois at Urbana-Champaign
 

Modeling Flows through Porous Media with a Kinetic Hybrid CPU-GPU Computational Tool

Deborah Levin, University of Illinois at Urbana-Champaign
 

Evolutionary dynamics of the protein structure-function relation and the origin of the genetic code

Gustavo Caetano-Anolles, University of Illinois at Urbana-Champaign
 

Kinetic Modeling and Simulation of Hypersonic, Shock-Boundary Layer Interactions using Petascale Computing

Deborah Levin, University of Illinois at Urbana-Champaign
 

Cellulosome Structure Determination: Combining Atomistic Simulations and Experimental Assays

Isaac Cann, University of Illinois at Urbana-Champaign
 

Efficient, Scalable, and Fault Tolerant Genomics Pipelines

Ravishankar Iyer, University of Illinois at Urbana-Champaign
 

Characterizing Functional Motions and Molecular Mechanisms of Sugar Transporters

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Numerical Simulations of Supercells and Embedded Tornadoes

Robert Wilhelmson, University of Illinois at Urbana-Champaign
 

Computational Ancestral Gene Resurrection for investigating selectivity mechanisms of Kinases and GPCRs

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

High-Speed Link Simulation Using X Parameters, Volterra Series and the Laten-cy Insertion Method (LIM)

Jose Schutt-Aine, University of Illinois at Urbana-Champaign
 

PARALLEL ALGORITHMS FOR SOLVING LARGE ASSIGNMENT PROBLEMS

Rakesh Nagi, University of Illinois at Urbana-Champaign
 

Using Blue Waters for Hardware Acceleration of Deep Learning for Big Data Image Analytics

Tao Xie, University of Illinois at Urbana-Champaign
 

Parallelization of the Multilevel Fast Multipole Algorithm (MLFMA) on Heterogeneous CPU-GPU Architectures

Levent Gurel, University of Illinois at Urbana-Champaign
 

A Probabilistic Variational Framework for Blood Flow Simulation in Patient-specific Arterial Geometries: Non-Newtonian Blood Flow Models and Optimization of Ventricular Assist Devices (VADs)

Arif Masud, University of Illinois at Urbana-Champaign
 

Building a data assimilation framework for forecasting volcanic activity during periods of unrest

Patricia Gregg, University of Illinois at Urbana-Champaign
 

Scalable Sparse Solvers

Luke Olson, University of Illinois at Urbana-Champaign
 

A Computational Model for Causal Inference via Subset Selection

Wendy Cho, University of Illinois at Urbana-Champaign
 

Deep Learning: Modeling Financial Data and Reinforcement Learning

Justin Sirignano, University of Illinois at Urbana-Champaign
 

Mapping Proton Quark Structure in Momentum and Coordinate Space using PetaByte Data-Sets from the COMPASS Experiment at CERN.

Caroline Riedl, University of Illinois at Urbana-Champaign
 

Evaluating Data-Driven Detectors of Electricity Theft in Smart Grids

William Sanders, University of Illinois at Urbana-Champaign
 

Analyzing tropical cyclone-climate interactions using the Community Earth System Model (CESM)

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Assessing CESM scalability for hierarchical model ensembles

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Atomistic Modeling of Transformations in Ionic Semiconductor Nanocrystals

Prashant Jain, University of Illinois at Urbana-Champaign
 

Multiscale Modeling of Biofilm Dynamics in Drinking Water Distribution Systems: Towards predictive modeling of pathogen outbreaks.

Ahmed Elbanna, University of Illinois at Urbana-Champaign
 

Development of 3D Probabilistic Physics-based Seismic Hazard Maps via Petascale Simulations for Regional Risk Analysis

Paolo Gardoni, University of Illinois at Urbana-Champaign
 

Enabling Discoveries at the Large Hadron Collider through Advanced Computation

Mark Neubauer, University of Illinois at Urbana-Champaign
 

3D particle-resolved aerosol model to quantify and reduce uncertainties in aerosolatmosphere interactions

Matthew West, University of Illinois at Urbana-Champaign
 

Modeling of flow through porous media using hybrid MPI-CUDA parallelization strategies using DSMC

Deborah Levin, University of Illinois at Urbana-Champaign
 

High Performance Methods for Big Data Phylogenomics, Proteomics, and Metagenomics

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Exploring the Physics of Geological Sequestration of Carbon Dioxide using High-Resolution Pore-Scale Simulation

Albert J. Valocchi, University of Illinois at Urbana-Champaign
 

Quantum-Classical Path Integral Simulation of Charge Transfer Reactions

Nancy Makri, University of Illinois at Urbana-Champaign
 

Harnessing petascale computing to elucidate fundamental mechanisms driving nanopatterning of multicomponent surfaces by directed irradiation synthesis

Jean Paul Allain, University of Illinois at Urbana-Champaign
 

The Molecular Mechanism of Transport Selectivity across the Nuclear Pore Complex

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Advanced Digital Technology for Materials and Manufacturing

Ahmed Taha, University of Illinois at Urbana-Champaign
 

Fluid-Flow and Stress Analysis of Steel Continuous Casting

Brian Thomas, University of Illinois at Urbana-Champaign
 

Enabling advanced magnetic resonance imaging of diffusion and elastography of the brain through HPC-based image reconstruction

Brad Sutton, University of Illinois at Urbana-Champaign
 

Multi-Scale and Multi-Physics Modeling of Geopolymer Cement Composites

Ange-Therese Akono, University of Illinois at Urbana-Champaign
 

Protein structure prediction using deep neural networks

Jian Peng, University of Illinois at Urbana-Champaign
 

Extreme-scale modeling – Role of micro-topographic variability on nutrient concentration and mean age dynamics

Praveen Kumar, University of Illinois at Urbana-Champaign
 

Large-Scale Social Simulations for Understanding Information Flows, Cultural Patterns, Collective Adaptation, & Emergent Structures

Leslie Gasser, University of Illinois at Urbana-Champaign
 

Large-scale simulation of droplet interface bilayers with functional protein channels

Narayana Aluru, University of Texas at Austin
 

Improving Nuclear Power Competitiveness in a Deregulated Energy Market

Tomasz Kozlowski, University of Illinois at Urbana-Champaign
 

Performance Analysis of Large Scale Deep Learning Systems

Bill Gropp, University of Illinois at Urbana-Champaign
 

Effects of Active Galaxy Feedback on the Evolution of Galaxy Clusters

Paul Ricker, University of Illinois at Urbana-Champaign
 

Mechanics of Deformation in High Capacity Lithium-ion Batteries

Huck Beng Chew, University of Illinois at Urbana-Champaign
 

Improving Virtually Guided Certification for Product Design with Implicit FEA Solver in LS-DYNA

Seid Koric, University of Illinois at Urbana-Champaign
 

Deep Learning for Finance and Engineering Applications

Justin Sirignano, University of Illinois at Urbana-Champaign
 

In Silico Hepatitis C Vaccine Design

Andrew Ferguson, University of Chicago
 

Predicting Performance Degradation and Failures of Applications Through System Activity Monitoring

Ravishankar Iyer, University of Illinois at Urbana-Champaign
 

Kinetic Modeling and Simulation of Hypersonic, Shock-Boundary Layer Interactions using Petascale Computing

Deborah Levin, University of Illinois at Urbana-Champaign
 

Atomic Resolution Description of the Transport Cycle in Neurotransmitter

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Modeling Flows through Porous Media with a Kinetic Hybrid CPU-GPU Computational Tool

Deborah Levin, University of Illinois at Urbana-Champaign
 

Developing and Tuning Communication-Avoiding Numerical Algorithms

Edgar Solomonik, University of Illinois at Urbana-Champaign
 

High Resolution Numerical Simulation of Oscillatory Flow and Sediment Transport through Aquatic Vegetation: Using the Highly Scalable Higher- Order Incompressible Solver Nek5000

Rafael Tinoco Lopez, University of Illinois at Urbana-Champaign
 

Structural Basis for Extreme Cold Stability in the Eye Lenses of Teleost Fishes

Chi-Hing Cheng, University of Illinois at Urbana-Champaign
 

Load Transfer Mechanisms of Boron Nitride Nanotube Reinforced Metal Composites

Huck Beng Chew, University of Illinois at Urbana-Champaign
 

Computational investigations to unravel the molecular mechanisms of strigolactone perception in plants

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Simulating tropical cyclone-climate interactions under anthropogenic global warming using high-resolution configurations of the Community Earth System Model (CESM)

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Minimal mixing: Exploring the Veering Automata

Mark Bell, University of Illinois at Urbana-Champaign
 

Non-adiabatic Electron-ion Dynamics in Ion-irradiated Carbon Nanomembranes

Andre Schleife, University of Illinois at Urbana-Champaign
 

Mapping Proton Quark Structure in Momentum and Coordinate Space using PetaByte Data-Sets from the COMPASS Experiment at CERN

Caroline Riedl, University of Illinois at Urbana-Champaign
 

Quantum Monte Carlo simulations of magnetism and models in condensed matter

Lucas Wagner, University of Illinois at Urbana-Champaign
 

Direct Numerical Simulation of Turbulence and Sediment Transport in Oscillatory Boundary Layer Flows

Marcelo Garcia, University of Illinois at Urbana-Champaign
 

Modeling Brain Activity: Network Inference and Response Simulation of Spiking Neurons

Michael Insana, University of Illinois at Urbana-Champaign
 

Estimating Large Scale Dynamic Brain Networks with Resting State data from the Human Connectome Project

Sanmi Koyejo, University of Illinois at Urbana-Champaign
 

Enhancing Alya Multiphysics Code with WSMP Solver and Solving Large Scale Ill-Conditioned Problems

Seid Koric, University of Illinois at Urbana-Champaign
 

Enabling Redistricting Reform: A Computational Study of Zoning Optimization

Wendy Cho, University of Illinois at Urbana-Champaign
 

Large Scale Solution of Constrained Systems via Monolithic Multigrid

Luke Olson, University of Illinois at Urbana-Champaign
 

Structural Fluctuations of Protein Under the Confinement of Hydrophobic Graphene

Yang Zhang, University of Illinois at Urbana-Champaign
 

Modeling of novel metal-carbon materials and difference structural scales

Iwona Jasiuk, University of Illinois at Urbana-Champaign
 

Testing a new density matrix computation algorithm that will enable electronic structure modeling of millions of atoms

Harley Johnson, University of Illinois at Urbana-Champaign
 

Particulate Matter Prediction and Source Attribution for U.S. Air Quality Management in a Changing World

Donald J. Wuebbles, University of Illinois at Urbana-Champaign
 

Improving Homology Detection, Gene Binning, and Multiple Sequence Alignment

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Simulations of Compact Object Mergers in support of NCSA’s LIGO commitment

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Epigenetic Regulation of Chromatin Structure and Dynamics

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Quantum-Classical Path Integral Simulation of Charge Transfer Reactions

Nancy Makri, University of Illinois at Urbana-Champaign
 

Future evolution of the Halo Mass function in a Universe dominated by a cosmological constant

Matias Carrasco Kind, University of Illinois at Urbana-Champaign
 

Enabling Discoveries at the Large Hadron Collider through Advanced Computation

Mark Neubauer, University of Illinois at Urbana-Champaign
 

Systematic thermodynamically consistent structural-based coarse graining of room temperature ionic liquids

Narayana Aluru, University of Texas at Austin
 

Simulating fine aerosol particles for human exposure using the high-detail particle-resolved aerosol model WRF-PartMC

Matthew West, University of Illinois at Urbana-Champaign
 

Quantifying the Effects of Inductive Electric Fields in The Terrestrial Magnetosphere

Raluca Ilie, University of Illinois at Urbana-Champaign
 

Searching for missing heritability in Alzheimer’s disease by identification of rare genomic variants

Matthew Hudson, University of Illinois at Urbana-Champaign
 

Data-driven Model Reduction of Turbulent Flows using Deep Learning

Maciej Balajewicz, University of Illinois at Urbana-Champaign
 

Unveiling the functions of the HIV-1 and hepatitis B virus capsids through the computational microscope

Juan Perilla, University of Delaware
 

HPC-based computational imaging for high-resolution, quantitative magnetic resonance imaging

Brad Sutton, University of Illinois at Urbana-Champaign
 

Designing scalable algorithms for constructing large phylogenetic trees (almost without alignments) on supercomputers

Bill Gropp, University of Illinois at Urbana-Champaign
 

Connecting convective storm initiation to orographic gravity waves to in the lee of the Andes Cordillera using high-resolution model simulations

Stephen Nesbitt, University of Illinois at Urbana-Champaign
 

Exploring Network Efficiency of Distributed Model-Replicated Deep Neural Network Systems

Roy H Campbell, University of Illinois at Urbana-Champaign
 

Ultra-high Resolution Astrophysical Simulations with GAMER

Hsi-Yu Schive, University of Illinois at Urbana-Champaign
 

The response of tropical cyclone activity to global warming in the Community Earth System Model (CESM)

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Multi-scale Method Development for Cell Simulations and Cell Simulations of a Genetically Minimal Cell

Zaida Luthey-Schulten, University of Illinois at Urbana-Champaign
 

Employing deep learning for particle identification at the Large Hadron Collider

Benjamin Hooberman, University of Illinois at Urbana-Champaign
 

How function shapes dynamics in evolution of protein molecules

Gustavo Caetano-Anolles, University of Illinois at Urbana-Champaign
 

Multiphysics Modeling of Steel Continuous Casting

Brian Thomas, University of Illinois at Urbana-Champaign
 

Fully kinetic PIC-DSMC-MCC approach for modeling of electric thruster plasma plumes and their interaction with solar panel surfaces, using multi-GPU CHAOS solver

Deborah Levin, University of Illinois at Urbana-Champaign
 

Structural Basis for Extreme Cold Stability in the Eye Lenses of Teleost Fishes

Chi-Hing Cheng, University of Illinois at Urbana-Champaign
 

Machine learning assisted protein identification with highly sensitive MoS2 nanopores

Narayana Aluru, University of Texas at Austin
 

Progenitor dependence in Core-Collapse Supernova Simulations

Roland Haas, University of Illinois at Urbana-Champaign
 

Text Analysis of Books from the HathiTrust Digital Library to Characterize Descriptiveness in Writing

J. Stephen Downie, University of Illinois at Urbana-Champaign
 

Numerical Relativity Simulations of Compact Binary Coalescence in support of NCSA’s LIGO commitment

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Parallel Algorithms for Solving Graph Assignment Problems

Rakesh Nagi, University of Illinois at Urbana-Champaign
 

Computational Investigations of SWEETs to Genetically Enhance Sugar Transport in Plants

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

An efficient global optimization algorithm for tuning hyperparameters of deep neural networks

Matthew West, University of Illinois at Urbana-Champaign
 

Simulation of a Complete Model of a Cellular Membrane

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Optimizing a distributed-memory parallel code for constructing ultra-large phylogenetic trees on Blue Waters

Bill Gropp, University of Illinois at Urbana-Champaign
 

In Search of a Quantitative Definition of the Gut Microbiome in Inflammatory Bowel Disease

Rebecca Stumpf, University of Illinois at Urbana-Champaign
 

Classifying Large-Scale Structure Galaxies Using Machine Learning

Matias Carrasco Kind, University of Illinois at Urbana-Champaign
 

Tutte Polynomials and Performances of Individual Rows of Reed–Muller Codes of Length 64 and 128 on Erasure Channels

Iwan Duursma, University of Illinois at Urbana-Champaign
 

Collective variable discovery and enhanced sampling in biomolecular simulation using autoencoders

Andrew Ferguson, University of Chicago
 

Petascale Computing of the Asymptotic Behavior of Laminar Boundary Layer-Shock Interactions using Kinetic, Particle Simulations

Deborah Levin, University of Illinois at Urbana-Champaign
 

The CADENS Blue Waters Visualization Project

Donna Cox, University of Illinois at Urbana-Champaign
 

Detecting Silent Data Corruptions in Exascale Applications

Marc Snir, University of Illinois at Urbana-Champaign
 

Computational study of genetic and epigenetic sensing using multi-layered 2D solid-state nanopores

Jean-Pierre Leburton, University of Illinois at Urbana-Champaign
 

Modeling the structure of the Earth’s deep interior from 3D wave simulations

Xiaodong Song, University of Illinois at Urbana-Champaign
 

Large scale gravitational wave searches in NANOGrav Data

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Benchmarking and tuning parallel matrix and tensor factorization algorithms

Edgar Solomonik, University of Illinois at Urbana-Champaign
 

High-Frequency Trading in Nanoseconds: Analysis, Modeling, and Policy Implications

Mao Ye, University of Illinois at Urbana-Champaign
 

Forecasting Volcanic Unrest and Eruption Potential Using Statistical Data Assimilation

Patricia Gregg, University of Illinois at Urbana-Champaign
 

Simulation, modeling and searches of multi-messenger sources with the Blue Waters Supercomputer

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Resolving the Structure of Viral Genomes with Atomic Precision

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Viral Transmission Dynamics at the Human-Wildlife Interface in Western Uganda

Rebecca Smith, University of Illinois at Urbana-Champaign
 

High Resolution Simulations of the Moon-Forming Giant Impact

Charles Gammie, University of Illinois at Urbana-Champaign
 

Utilizing machine topology and heterogeneity in numerical algorithms

Luke Olson, University of Illinois at Urbana-Champaign
 

Quantum-classical path integral simulation of electronic transitions

Nancy Makri, University of Illinois at Urbana-Champaign
 

Accelerating magnetic resonance imaging based biomarker development through HPC

Brad Sutton, University of Illinois at Urbana-Champaign
 

Mechanism of Nitrate Transport in Plants

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Non-adiabatic Electron-ion Dynamics in Ion-irradiated Two-Dimensional Materials

Andre Schleife, University of Illinois at Urbana-Champaign
 

Massively Parallel Evolutionary Markov Chain Monte Carlo for Sampling Complicated Multimodal State Spaces

Wendy Cho, University of Illinois at Urbana-Champaign
 

Centrally Ignited Expanding Flames in Laminar and Turbulent Media

Moshe Matalon, University of Illinois at Urbana-Champaign
 

Accelerating Thermoelectric Materials Discovery via Dopability Predictions

Elif Ertekin, University of Illinois at Urbana-Champaign
 

A lattice QCD study of the contribution of two-pion states to the hadronic vacuum polarization correction of the muon’s magnetic moment

Aida X El-Khadra, University of Illinois at Urbana-Champaign
 

Parallel MLFMA on Heterogeneous CPU-GPU Architectures for Imaging and Inverse Scattering

Levent Gurel, University of Illinois at Urbana-Champaign
 

High Resolution Numerical Simulation of Oscillatory Flow and Sediment Transport through Aquatic Vegetation: Using the Highly Scalable Higher- Order Incompressible Solver Nek5000

Rafael Tinoco Lopez, University of Illinois at Urbana-Champaign
 

Patient-specific Models for Virtual Prototyping and Vascular Surgical Planning

Arif Masud, University of Illinois at Urbana-Champaign
 

Studies In Theoretical Astrophysics and General Relativity

Stuart Shapiro, University of Illinois at Urbana-Champaign
 

Investigation of Novel Crystal Phases and Electronic Topologies in Semiconductor Nanostructures

Prashant Jain, University of Illinois at Urbana-Champaign
 

Massively Parallel Simulation of Vacancy-Jog Interaction with ParSplice

Dallas Trinkle, University of Illinois at Urbana-Champaign
 

High Resolution Modeling of Turbulence in Wave Boundary Layers

Marcelo Garcia, University of Illinois at Urbana-Champaign
 

Holistic Monitoring and Diagnosis of Large-Scale Application Performance Degradation

Ravishankar Iyer, University of Illinois at Urbana-Champaign
 

Study the effect of Surface Defects on Hydrophobicity at Rare Earth Oxide–Water Interfaces using Molecular Dynamics Simulations driven by ab initio-based Neural Network Potentials

Yang Zhang, University of Illinois at Urbana-Champaign
 

Investigation of the molecular mechanisms of the deadly adhesion of Staph bacteria

Rafael Bernardi, University of Illinois at Urbana-Champaign
 

Large-scale gene tree and species tree estimation using Blue Waters

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Mapping Proton Quark Structure using Petabytes of COMPASS data

Caroline Riedl, University of Illinois at Urbana-Champaign
 

Mechanism of Serotonin Transport in Human Brain

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Simulating turbulence and atmospheric convection over complex terrain at large-eddy scales

Stephen Nesbitt, University of Illinois at Urbana-Champaign
 

Investigating subduction dynamics using 4-D geodynamic models with data assimilation

Lijun Liu, University of Illinois at Urbana-Champaign
 

Global 3D Simulations of Massive Accretion Disks Surrounding the First Luminous Objects

Matthew Turk, University of Illinois at Urbana-Champaign
 

Damaged-DNA detection through atomically-thin solid-state nanopores

Jean-Pierre Leburton, University of Illinois at Urbana-Champaign
 

Scalable Solvers on Emerging Architectures

Luke Olson, University of Illinois at Urbana-Champaign
 

Study the effect of Surface Defects on Hydrophobicity at Rare Earth Oxide–Water Interfaces using Molecular Dynamics Simulations driven by ab initio-based Neural Network Potentials

Yang Zhang, University of Illinois at Urbana-Champaign
 

Impact of Geometrical Constraint and Interfacial Interactions on Hydrated Proteins under Confinement

Yang Zhang, University of Illinois at Urbana-Champaign
 

Impact of Geometrical Constraint and Interfacial Interactions on Hydrated Proteins under Confinement

Yang Zhang, University of Illinois at Urbana-Champaign
 

Modeling Plume Plasma Interactions with Spacecraft Surfaces using Hybrid CPU-GPU Strategies

Deborah Levin, University of Illinois at Urbana-Champaign
 

Learning about Modal Decompositions of Hypersonic Boundary Layer - Shock Interactions from Kinetic Petascale Simulations

Deborah Levin, University of Illinois at Urbana-Champaign
 

Convergence of numerical relativity, deep learning at scale, and large scale computing for Multi-Messenger Astrophysics

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Atomistic Dynamics of a Complete Zika Virus Envelope

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Large-scale Simulations of Biological and 2-Dimensional Heterogeneous Nano-interfaces, Nanopores and Nanochannels

Narayana Aluru, University of Texas at Austin
 

Brain Structure and Function Evaluated with Magnetic Resonance Elastography

Hillary Schwarb, University of Illinois at Urbana-Champaign
 

Molecular Mechanisms of Lipid and Ion Translocation in a Phospholipid Scrambling Machinery

Tao Jiang, University of Illinois at Urbana-Champaign
 

High-fidelity Numerical Simulations of Offshore Floating Wind Turbines in Atmospheric Boundary Layer Flows and Ocean Waves

Jinhui Yan, University of Illinois at Urbana-Champaign
 

Free Energy-Guided Design of Aerolysin Nanopore for Single-Molecule Protein Sequencing

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

High Resolution Models of Magnetized, Moon-Forming Giant Impacts

Charles Gammie, University of Illinois at Urbana-Champaign
 

Investigation of dielectric barrier discharge plasma generators using large scale electronic structure computations

Harley Johnson, University of Illinois at Urbana-Champaign
 

Comprehensive molecular dynamics study of how lipids modulate structure and functions of membrane Transporters

Paween Mahinthichaichan, University of Illinois at Urbana-Champaign
 

Atomic-Scale Simulations of Amyloid Beta Fibrils with Dismantling Polymer-Peptide Conjugates

Jeffery S. Moore, University of Illinois at Urbana-Champaign
 

Effects of Active Galaxy Feedback on the Intracluster Medium

Paul Ricker, University of Illinois at Urbana-Champaign
 

Exploiting Moiré Effects to Control Plasma-Patterning of Twisted Bilayer Graphene

Huck Beng Chew, University of Illinois at Urbana-Champaign
 

Forecasting crop productivity using novel satellite data and process-based models: scaling up to the whole US Corn Belt

Kaiyu Guan, University of Illinois at Urbana-Champaign
 

A data-centered approach to studying electronic behavior in superconductors and correlated electron systems

Lucas Wagner, University of Illinois at Urbana-Champaign
 

How Amphotericin, the antifungal drug of last resort, captures sterols: the good and the bad?

Taras Pogorelov, University of Illinois at Urbana-Champaign
 

Dark Energy Survey

Felipe Menanteau, University of Illinois at Urbana-Champaign
 

Assembling a Map of the Universe with Blue Waters: Shapes and mass distribution for the Dark Energy Survey

Felipe Menanteau, University of Illinois at Urbana-Champaign
 

The Black Holes Blue Waters Visualization Project

Jill Naiman, University of Illinois at Urbana-Champaign
 

Increasing Locality in Sparse Solvers

Luke Olson, University of Illinois at Urbana-Champaign
 

Multiscale Modeling of Novel Metal-Carbon Nanocomposites

Iwona Jasiuk, University of Illinois at Urbana-Champaign
 

Sterol Extraction via Amphotericin: precision molecular changes drive kinetics

Taras Pogorelov, University of Illinois at Urbana-Champaign
 

Numerical simulations of neutron stars and black holes 2

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Proton Transport Through Membrane-Embedded Carbon Nanotubes

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

The Dynamic Hydrogen Exosphere of Earth: Simulating Space Weather Effects on Atmosphere Escape

Lara Waldrop, University of Illinois at Urbana-Champaign
 

Accelerating Thermoelectric Materials Discovery via Dopability Predictions II

Elif Ertekin, University of Illinois at Urbana-Champaign
 

Turbulence and Stratification effects in Turbulent Oscillatory Boundary Layers

Marcelo Garcia, University of Illinois at Urbana-Champaign
 

Antibiotic Resistance Mechanism in Pseudomonas aeruginosa

Paul Hergenrother, University of Illinois at Urbana-Champaign
 

Improved pore-scale models for multi-phase flow in natural rocks with applications to geological sequestration of carbon dioxide

Albert J. Valocchi, University of Illinois at Urbana-Champaign
 

Regional scale deterministic ground motion simulations from dynamic rupture models considering shallow crust nonlinearity and implications for tsunami generation

Ahmed Elbanna, University of Illinois at Urbana-Champaign
 

Identification of durable hydrophobic inorganic materials using molecular dynamics simulations driven by ab initio-based neural network potenitals

Yang Zhang, University of Illinois at Urbana-Champaign
 

Multi-satellite data fusion to monitor soybean growth and deforestation over Brazil

Jian Peng, University of Illinois at Urbana-Champaign
 

Integrating multi-satellite and multi-model to estimate crop gross primary productivity at field level covering the U.S. Corn Belt

Kaiyu Guan, University of Illinois at Urbana-Champaign
 

Interannual Prediction and Predictability of Atlantic Tropical Cyclones and the Role of Extratropical Processes

Zhuo Wang, University of Illinois at Urbana-Champaign
 

Simulations of plasma-based flows using heterogeneous computational strategies

Deborah Levin, University of Illinois at Urbana-Champaign
 

Outwardly Expanding Premixed Flames in Open and Confined Turbulent Environments

Moshe Matalon, University of Illinois at Urbana-Champaign
 

Safe and rapid functional brain imaging with transcranial photoacoustic tomography: Accelerating iterative image reconstruction algorithms using GPUs

Mark Anastasio, University of Illinois at Urbana-Champaign
 

Quantum-Classical Path Integral Simulation of Proton Translocation

Nancy Makri, University of Illinois at Urbana-Champaign
 

Deep Reinforcement Learning Models for High-Frequency Data

Justin Sirignano, University of Illinois at Urbana-Champaign
 

Effects of Active Galaxy Feedback in Galaxy Clusters

Paul Ricker, University of Illinois at Urbana-Champaign
 

Developing TIPP2: High accuracy and scalable metagenomic sequence analysis

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Statistical Phylogeny Estimation on Large Heterogeneous Datasets

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Large-Scale Simulations of Soft/Hard Interfaces

Narayana Aluru, University of Texas at Austin
 

Parallel Hybrid Metaheuristics with Distributed Intensification and Diversification for Large-scale Optimization in Statistical Analysis

Wendy Cho, University of Illinois at Urbana-Champaign
 

Optimization of Cellular Concrete for Impact Resistant Infrastructure: A Multiscale Analysis of Energy Absorption Behavior of Brittle Cellular Materials

David Lange, University of Illinois at Urbana-Champaign
 

Materials Modeling Optimization

Dallas Trinkle, University of Illinois at Urbana-Champaign
 

Molecular Origin of Drug Selectivity in Human Cannabinoid Receptors

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Predicting the Hepatitis B Virus Capsid Disassembly Process Through Computational Modeling

Martin Gruebele, University of Illinois at Urbana-Champaign
 

Response in climate and weather extremes to increasing atmospheric carbon dioxide in the High-Resolution Community Earth System Model (CESM)

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Nonadiabatic electron-ion dynamics in nitrogen-vacancy centers in diamond

Andre Schleife, University of Illinois at Urbana-Champaign
 

Simulating atmospheric particle composition for human health and climate impacts using the high-detail particle-resolved aerosol model WRF-PartMC

Matthew West, University of Illinois at Urbana-Champaign
 

Coarse-grained models for quantum description of many electrons

Lucas Wagner, University of Illinois at Urbana-Champaign
 

Molecular Mechanism of Precision Polymers as Novel Inhibitors of Beta-Amyloid Fibril Formation

Jeffery S. Moore, University of Illinois at Urbana-Champaign
 

Achieving Mechanistic Insights into Boron Nitride Nanotube-reinforced Metal Composites with Massively-Parallel Computations

Huck Beng Chew, University of Illinois at Urbana-Champaign
 

The two-pion contributions to the HVP correction of the muon g-2

Aida X El-Khadra, University of Illinois at Urbana-Champaign
 

Impacts of land use on climate and extreme events across scales in North America using Community Earth System Model

Liang Chen, University of Illinois Urbana-Champaign
 

Evaluation of Massively Parallel Sparse Linear Solvers in Science and Engineering

Seid Koric, University of Illinois at Urbana-Champaign
 

Determining the structure and viscoelasticity of the cytosol in atomistic detail

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Mechanism of Antibiotic Resistance in Gram-negative Bacteria

Paul Hergenrother, University of Illinois at Urbana-Champaign
 

Strong field tests of gravity: numerical relativity in quadratic gravity

Helvi Witek, University of Illinois at Urbana-Champaign
 

Atomistic Simulations of Complex Interfaces Involving Low-dimensional Materials

Narayana Aluru, University of Texas at Austin
 

Electron, phonon, and magnon dispersions and optical spectrum at finite temperature of M 2 As (M=Fe, Mn, and Cr)

Andre Schleife, University of Illinois at Urbana-Champaign
 

Materials Modeling Optimization

Dallas Trinkle, University of Illinois at Urbana-Champaign
 

Studies in Theoretical Astrophysics and General Relativity

Stuart Shapiro, University of Illinois at Urbana-Champaign
 

Deep Learning to Advance Higgs Boson Physics at the Large Hadron Collider

Mark Neubauer, University of Illinois at Urbana-Champaign
 

DNA Sequencing using Modied Nucleotides with 2D Multi-layer Nanopore Field Eect Transistor

Jean-Pierre Leburton, University of Illinois at Urbana-Champaign
 

Atomistic Level Characterization of Hepatitis B Virus Capsid Disassembly in Cellular Environment

Zhaleh Ghaemi, University of Illinois at Urbana-Champaign
 

Scalable near-real-time crop phenological retrieval of US farm fields

Chunyuan Diao, University of Illinois at Urbana-Champaign
 

High-throughput monitoring of crop and soil traits using airborne hyperspectral imagery

Sheng Wang, University of Illinois at Urbana-Champaign
 

Kinetic modeling of plasma waves using heterogeneous computational strategies

Deborah Levin, University of Illinois at Urbana-Champaign
 

Tropical Cyclone-Climate Interactions using the High-Resolution Community Earth System Model (CESM)

Ryan Sriver, University of Illinois at Urbana-Champaign
 

Advancing Large-Scale Multiple Sequence Alignment through Divide-and-Conquer

Tandy Warnow, University of Illinois at Urbana-Champaign
 

Modulation of an Epilepsy-Causing Ion Channel by Anionic Lipids

Emad Tajkhorshid, University of Illinois at Urbana-Champaign
 

Design of multi-metalloporphyrin polymers for long-range electron transport

Jeffery S. Moore, University of Illinois at Urbana-Champaign
 

Molecular Engineering of a High-Density DNA Storage System

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign
 

Improving Photosynthetic Efficiency in Plants by Alleviating Inhibition of Rubisco Activase.

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

High Fidelity Computational Investigations of Multiphysics Phenomena in Continuous Steel Casting

Brian Thomas, University of Illinois at Urbana-Champaign
 

The Black Holes Blue Waters Visualization Project

Jill Naiman, University of Illinois at Urbana-Champaign
 

A Stochastic Multiscale Modeling Platform for Targeted Drug Delivery

Arif Masud, University of Illinois at Urbana-Champaign
 

Impact of impurities on the physical properties of high temperature molten salts

Yang Zhang, University of Illinois at Urbana-Champaign
 

Real-Time Path Integral Simulation of Excitation Energy Transfer

Nancy Makri, University of Illinois at Urbana-Champaign
 

How amphotericin extracts sterols: role of dynamic structural ensembles

Taras Pogorelov, University of Illinois at Urbana-Champaign
 

High Resolution Regional Climate Modeling: Moving towards Climate Resilient Future

Donald J. Wuebbles, University of Illinois at Urbana-Champaign
 

Integration of wave physics and machine learning to enable transcranial photoacoustic tomography

Mark Anastasio, University of Illinois at Urbana-Champaign
 

Exoplanet Detection using Joint Signal Estimation

Athol Kemball, University of Illinois at Urbana-Champaign
 

Confluence of Numerical Relativity and Physics-Inspired AI for Multi-Messenger Astrophysics Discovery with the Blue Waters Supercomputer

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

Modeling Crop Productivity Using a Coupled Modeling Framework

Atul Jain, University of Illinois at Urbana-Champaign
 

Simulating atmospheric particle composition across the Continental United States using the high-detail particle-resolved aerosol model WRF-PartMC

Matthew West, University of Illinois at Urbana-Champaign
 

Improving Electroencephalogram-based Neurological Disease Diagnosis through the Development of Artificial Intelligence (AI) Methods for Clinical Decision Support

Yogatheesan Varatharajah, University of Illinois, Department of Bioengineering
 

Centrally Ignited Premixed Flames in Open and Confined Turbulent Environments

Moshe Matalon, University of Illinois at Urbana-Champaign
 

Earth’s Dynamic Exosphere: Simulating Space Weather Effects on Atmospheric Escape

Lara Waldrop, University of Illinois at Urbana-Champaign
 

Industry

Scalability Analysis of Massively Parallel Linear Solvers on the Sustained Peta-Scale Computing System of Blue Waters

Seid Koric, University of Illinois at Urbana-Champaign
 

Epistatic Interactions for Brain eGWAS in Alzheimer's Disease

Nilufer Ertekin-Taner, Mayo Clinic
 

Software Extreme Benchmarking

Ahmed Taha, University of Illinois at Urbana-Champaign
 

GPU-Accelerated Sparse Factorization in Implicit Finite Element Method on Petascale Architecture

Seid Koric, University of Illinois at Urbana-Champaign
 

GPU-Accelerated and Monte Carlo Based Robust Optimization for Spot Scanning Proton Therapy

Chris Beltran, Mayo Clinic
 

Proposal to NCSA to Test the Scaling of the Structured Mesh Framework, OPS and the Unstructured Mesh Framework, OP2

Kevin Olson, Drexel University
 

XflowOne Scalability Study

Edward Watras, Dassault Systems Simulia Corp
 

Computational Drug Discovery on Blue Waters with FEP+ software

Maria Argiriadi, AbbVie
 

HDF5 performance benchmark testing

Larry Knox, The HDF Group
 

Optimization of TecIO-MPI, the Tecplot Parallel Output Library

Dave Taflin, Tecplot Inc.
 

Calibrating the SimBioSys TumorScope for the Fight on Cancer

Joseph Peterson, SimBioSys, Inc.
 

Abaqus/Explicit runs at 1000 to 4000 cores

Prasad Nimmagadda, Dassault Systems Simulia Corp
 

A Computational Study of Districting Analysis

Wendy Cho, University of Illinois at Urbana-Champaign
 

XTree Scalability Study

Matthew Moritz, Dassault Systems Simulia Corp
 

Education

Self-Assembly and Phase Behavior of Surface-Tethered Peptide/Polymer-Brush Conjugates

Scott Carmichael, University of California, Santa Barbara
 

Second-Order Electronic and Anharmonic Vibrational Perturbation Calculations on Ice Ih

Matthew Hermes, University of Illinois at Urbana-Champaign
 

CS1645: Introduction to High Performance Computing Systems

Esteban Meneses, University of Pittsburgh
 

2014 Blue Waters Student Internship Program

Aaron Weeden, University of Buffalo
 

SPIN (Students Pushing Innovation)

William T. Kramer, University of Illinois at Urbana-Champaign
 

Parallel-ARD Solver for the Acoustic Wave Equation

Dinesh Manocha, University of North Carolina, Chapel Hill
 

Blue Waters Student Internship Program: Drug Discovery & Blue Waters Curriculum Module Development

David Toth, Centre College
 

Parallel Computing Interns/Mentoring

Ana Gonzalez, University of Puerto Rico, Mayaguez
 

Blue Waters Online Course: High Performance Visualization for Large-Scale Scientific Data Analytics

Han-Wei Shen, Ohio State University
 

Improving the scalability of Mothur for large metagenomic studies

Charles Peck, Earlham College
 

Supercomputing Software and Curriculum Internship for Undergraduates

Aaron Weeden, University of Buffalo
 

Large-Scale Climate Modeling and Intraseasonal Mode Analysis

Andrew Mercer, Mississippi State University
 

Parallel Program Analysis Intern Aiming for Petascale Performance

Paul Rulis, University of Missouri, Kansas City
 

HPC Material Development and Revision

Angela Shiflet, Wofford College
 

2015 Blue Waters Student Internship Program: Petascale Institute and Program Administration

Aaron Weeden, University of Buffalo
 

Scaling in Nature

Russell Manson, Richard Stockton College of New Jersey
 

Structural and Thermodynamic Characterization of PolyGly, a protein backbone model

Bernard Pettitt, University of Texas Medical Branch at Galveston
 

CS 598: Designing and Building Applications for Extreme Scale Systems

Bill Gropp, University of Illinois at Urbana-Champaign
 

Associated Colleges of the Chicago Area Computer Science (ACCA-CS) Fall 2015 Seminar/Workshop on High Performance Computing and Models of Parallelism

John Jeffrey, Elmhurst College
 

Petascale MD Visualization of Acoustic Metrics

Stephen Harnish, Bluffton University
 

Testing the convergence of Advanced Methodologies for Biomolecular Measurements of Hepatitis Cas Nonstructural Protease 3

Edward Ackad, Southern Illinois University, Edwardsville
 

Part I: Molecular Dynamics Simulations to Explore the Plasticity of the Human Cytochrome P450 3A4 Enzyme. Part II: Probing the Conformational Transitions of Somatostatin Subtype-4 Receptor in order to Understand Ligand Agonism

Maria Kontoyianni, Southern Illinois University, Edwardsville
 

How to Build a Fast HPC n-Body Engine from Scratch

Victor Pinks, Marmion Academy
 

Drug Discovery Performance Comparison Internship for an Undergraduate Student

David Toth, Centre College
 

Undergraduate Internship for Computational Nano-engineering Research

Dinadayalane Tandabany, Clark Atlanta University
 

Molecular Dynamics Simulations of Cosolvent Effects on Protein Stability

Angel Garcia, Rensselaer Polytechnic Institute
 

Predicting Microbial Genome-Encoded Biomolecular Networks

Raphael Isokpehi, Bethune-Cookman University
 

Topological Methods for Plant Phenomics Data

Ananth Kalyanaraman, Washington State University
 

Augmented Reality Visualization of BW Data

Alan Craig, University of Illinois at Urbana-Champaign
 

Parallel Implementation of Bayesian Network Structure Learning Algorithms

Timothy O'Neil, University of Akron
 

Parallelizing Suffix Array Construction

Ana Gonzalez, University of Puerto Rico, Mayaguez
 

Modeling Galaxy Formation using Robust Machine Learning Techniques

Robert J. Brunner, University of Illinois at Urbana-Champaign
 

HPC Database Implementation

Paul Hemler, Hampden-Sydney College
 

Non-Impulsive Trajectory Modeling for Interplanetary Cargo Missions

Hans Mark, University of Texas at Austin
 

Surface-deposited molecules and clusters: structure, surface-patterning, and bonding analysis

Anastassia Alexandrova, University of California, Los Angeles
 

Genomics in 3D: Overnight comparative studies mono-nucleosomes.

Thomas Bishop, Louisiana Tech University
 

Toward simulating Black Widow binaries with CASTRO

Alan Calder, SUNY at Stony Brook
 

Modeling and Simulation of large-scale Fluid-Solid Interaction problems

Dan Negrut, University of Wisconsin-Madison
 

2015 BWIP: Addressing FSI Issues in Blood-Artery Interaction Models

Arif Masud, University of Illinois at Urbana-Champaign
 

Improving the scalability of Mothur for large metagenomic studies

Charles Peck, Earlham College
 

2015 Blue Waters Student Internship Program Administration

Aaron Weeden, University of Buffalo
 

Modeling the Molecular Properties of Polymer Membranes for Water Purification

Michael Shirts, University of Virginia
 

NASA Oklahoma EPSCoR Summer Research Program

Jeremy Evert, Southwestern Oklahoma State University
 

Introduction to Parallel Computing for Scientists and Engineers

Tariq Ahmad, University of Massachusetts, Amherst
 

Computational Researcher in Viral RNA Folding Team

Susan Schroeder, University of Oklahoma
 

From Dust to Planets: Simulating Particle Agglomeration in Protoplanetary Disks

Joseph Barranco, San Francisco State University
 

Parallel compact algorithms for the subsurface scattering problems

Yury Gryazin, Idaho State University
 

Quantification of the Importance of Lead-Time in Non-Tornadic Severe

Andrew Mercer, Mississippi State University
 

Self-assembly of small-molecule semiconductors

Eric Jankowski, Boise State University
 

Development of a Computational Fluid Dynamics Curriculum Module for OnRamp Parallel Computing Portal

Samantha Foley, University of Wisconsin-La Crosse
 

Workflow Optimization for Comparative Molecular Dynamics of Mono-Nucleosomes

Thomas Bishop, Louisiana Tech University
 

Photonic and plasmonic properties of metamaterials

Maxim Durach, Georgia Southern University
 

Information Provisioning

Jeremy Enos, University of Illinois at Urbana-Champaign
 

2016 SPIN Student Projects

Gregory Bauer, University of Illinois at Urbana-Champaign
 

Exploring computational plasma physics and exascale fluid dynamics codes

Brian O'Shea, Michigan State University
 

Molecular Dynamics Simulation Studies of Surface Tension and Transport Properties in Liquid Metallic Ni Alloys

Dorel Moldovan, Louisiana State University
 

Modeling the Nanoplasmonic Properties of 2-D Transition Metal Carbide MXenes

Daniel Autrey, Fayetteville State University
 

Photonic and plasmonic properties of metamaterials

Reed Hodges, Georgia Southern University
 

Modeling and Simulation of Many-Vehicle Systems and Large-Scale Granular Dynamics Problems

Dan Negrut, University of Wisconsin-Madison
 

2016-17 Blue Waters Student Internship Program Administration

Robert Panoff, Shodor Education Foundation, Inc.
 

Applying Deep Learning on Time Series Astronomical Data

Robert J. Brunner, University of Illinois at Urbana-Champaign
 

Computational Molecular Modeling - Solving Quantum Mechanics Based Calculations Concerning Molecular Structures and Properties

Jeremy Evert, Southwestern Oklahoma State University
 

Role of variability in complex systems

Michael Insana, University of Illinois at Urbana-Champaign
 

Bioinformatics Analysis for Cancer Gene Mutations

Ming-Ying Leung, University of Texas at El Paso
 

Implementing HPC Bioinformatics Algorithms

Angela Shiflet, Wofford College
 

Blue Waters Student Internship - Deep Learning on Bioinformatics Data

Xinlian Liu, Hood College
 

Toward improving seasonal snowpack predictions in complex mountainous terrain with high-resolution regional climate simulations

Laurie Huning, University of California, Los Angeles
 

Parametric Study of FSI Issues in Blood-Artery Interaction Models

Arif Masud, University of Illinois at Urbana-Champaign
 

Parametric Study of FSI Issues in Blood-Artery Interaction Models

Arif Masud, University of Illinois at Urbana-Champaign
 

Charge transfer in heterogeneous Xray-created nanoplasmas

Edward Ackad, Southern Illinois University, Edwardsville
 

Understanding structural dynamics of parasitic plant receptors

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Polymer Composite Assembly and Dynamics

Eric Jankowski, Boise State University
 

Computational Screening of Organic Dyes for Photovoltaic Applications

Elena Jakubikova, North Carolina State University at Raleigh
 

Tornado Outbreak Modeling Student Experience

Andrew Mercer, Mississippi State University
 

Virtual Reality Enabled Multi-User Collaboratory Science Visualization Workspace with HPC Integration

David Joiner, Kean University
 

NCSA CIP Internship

Gregory Bauer, University of Illinois at Urbana-Champaign
 

High Performance Data Analytics for Brain State Modeling

Hong Lin, University of Houston-Downtown
 

Reproducible Basic Linear Algebra Subroutines (ReproBLAS)

James Demmel, University of California, Berkeley
 

High-Performance Multi-phase, Multi-component, Subsurface Fluid-Flow Simulator Development Using Fluid-Phase Equilibria under Confinement

Zulfiquar Reza, University of Oklahoma
 

Improving Global Optimisation Search Schemes for Quantum Chemical Simulations

Michael Groves, California State University-Fullerton
 

Can we detect the edge of the Milky Way?

Robyn Sanderson, California Institute of Technology
 

Kinetic Monte Carlo study of crystal growth

Henry Boateng, Bates College
 

Understanding Catalytic Hydrogen Oxidation/Reduction in Metal-Sulfur Proteins

Sergey Varganov, University of Nevada-Reno
 

Blue Waters Internship Extension: HPC Monte Carlo Simulations-Analysis for Physics & Econometrics

Stephen Harnish, Bluffton University
 

Molecular Modeling of Amyloid Aggregation

David Bevan, Virginia Polytechnic Institute and State University
 

Identification of Lagrangian Coherent Structures (LCS) in accelerating turbulent boundary layers

Guillermo Araya, University of Puerto Rico, Mayaguez
 

2017-18​ ​Blue​ ​Waters​ ​Student​ ​Internship​ ​Program​ ​Administration

Robert Panoff, Shodor Education Foundation, Inc.
 

Modeling of Tsunamis and Breaking Waves and their Impact on Built Infrastructure

Arif Masud, University of Illinois at Urbana-Champaign
 

A Science Gateway and Repository of Deep Learning Neural Network Models for Biomedical Image Processing

Xinlian Liu, Hood College
 

Optical Properties of Quartic Metamaterials

Maxim Durach, Georgia Southern University
 

NanoEnergy HPC Internship

Zlatan Aksamija, University of Massachusetts, Amherst
 

UChicago MPCS Practicum Globus Testing

Vas Vasiliadis, University of Chicago
 

Grouping Search Regions for Evolutionary Algorithm of Quantum Chemical Systems

Michael Groves, California State University-Fullerton
 

Deep Learning Enabled Structural Knowledge Discovery

Xinlian Liu, Hood College
 

Parallel Stability Analysis of Exoplanetary Systems detected via Radial Velocity

David Joiner, Kean University
 

Sensitivity Analysis of the Role of Model Physics on Severe Weather Diagnostics within Tornadic Tropical Cyclone Environments

Andrew Mercer, Mississippi State University
 

Modeling internship in improving catalyst lifetime and selectivity

Eric Jankowski, Boise State University
 

The Missing link between Poroelasticity and Acoustic Stealth

Mattia Gazzola, University of Illinois at Urbana-Champaign
 

Where Did the Milky Way's Thick Disk Come From?

Sarah Loebman, University of Washington
 

MRI Robotics Intern

Yuchou Chang, University of Houston-Downtown
 

Novel Mechanism of Blood-Clotting Could Revolutionize Stroke and Heart Attack Treatments

Roman Voronov, New Jersey Institute of Technology
 

Computational Water Quality Modeling Internship

David Lampert, Oklahoma State University
 

ACS PHYS graduate student award in theoretical chemistry

Anastassia Alexandrova, University of California, Los Angeles
 

Amyloid formation in the presence of lipids

Ulrich Hansmann, University of Oklahoma
 

Elucidating Binding Mechanism of Plant Hormones Involved in Growth and Development

Diwakar Shukla, University of Illinois at Urbana-Champaign
 

Efficient Use of HPC Resources for Optimized CFD Simulations

Tulin Kaman, University of Arkansas
 

NCSA CIP Internship

Brett Bode, University of Illinois at Urbana-Champaign
 

MD Simulations of Acoustically-Controlled Defect Dynamics in FCC Solids

Stephen Harnish, Bluffton University
 

IE 498: Deep Learning

Justin Sirignano, University of Illinois at Urbana-Champaign
 

CS546 Machine Learning and Natural Language

Julia Hockenmaier, University of Illinois at Urbana-Champaign
 

IE 533 Big Graphs and Social Networks

Rakesh Nagi, University of Illinois at Urbana-Champaign
 

Blue Waters Parallel Computational STEM Curriculum Capstone

Aaron Weeden, University of Buffalo
 

Deep Learning Graduate Course

Richard Sowers, University of Illinois at Urbana-Champaign
 

Graduate Fellows

Frequency Parallelization of the Inverse Dielectric Matrix in the BerkeleyGW Code

Steven Gordon, Ohio Supercomputer Center
 

Implementation of a GPU-Accelerated Particle Filter Algorithm for Simulation of Large-Scale Power Systems

Steven Gordon, Ohio Supercomputer Center
 

Improving the Predictive Capabilities for Optical Distortions Caused by Compressible, Turbulent Flows

Steven Gordon, Ohio Supercomputer Center
 

Examining the Evolving Properties of Dwarf Galaxies Using the Hydrodynamical Adaptive Refinement Tree Code

Steven Gordon, Ohio Supercomputer Center
 

Massively Parallel Graph Analytics

Steven Gordon, Ohio Supercomputer Center
 

Energy Balance Between Thermal and Nonthermal Ions in the Solar Wind Flow

Steven Gordon, Ohio Supercomputer Center
 

Quantum-Classical Path Integral Simulation of Enzyme-Catalyzed Proton Transfer

Steven Gordon, Ohio Supercomputer Center
 

Simulated effects of urban environments on the dynamics of a supercell thunderstorm

Steven Gordon, Ohio Supercomputer Center
 

Parallelization of the Tensor Hypercontraction Approach to Study Photoisomerization of Photoactive Yellow Proteins

Steven Gordon, Ohio Supercomputer Center
 

Modeling the Ocean Energetics Through Horizontal Convection

Steven Gordon, Ohio Supercomputer Center
 

Impacts of Silent Data Corruptions on HPC Application Runtimes

Steven Gordon, Ohio Supercomputer Center
 

Modeling nonlinear physical-biological interactions: Eddies and Sargassum in the North Atlantic

Steven Gordon, Ohio Supercomputer Center
 

Modeling the Charging of Volcanic Plumes and the Generation of Volcanic Lightning

Steven Gordon, Ohio Supercomputer Center
 

Magnetic reconnection in laser-driven plasmas: from astrophysics to the laboratory in silico

Steven Gordon, Ohio Supercomputer Center
 

The Effect of Cosmic Rays on Galactic Magnetic Field Evolution

Steven Gordon, Ohio Supercomputer Center
 

Monte Carlo Neutrino Closures in 3D GRMHD Simulations of Core-Collapse Supernovae and Neutron Star Mergers

Steven Gordon, Ohio Supercomputer Center
 

Multiscale simulations of complex fluid rheology

Steven Gordon, Ohio Supercomputer Center
 

Conformational Entropy of Disordered Polypeptides and its Elusive Contribution to the Thermodynamics of Protein Binding

Steven Gordon, Ohio Supercomputer Center
 

Characterizing HIV Transmission Networks Through Sensitivity Analyses and Simulations

Steven Gordon, Ohio Supercomputer Center
 

Resolving the deep branches in the Tree of Life with complex and highly parameterized Bayesian models of molecular evolution

Steven Gordon, Ohio Supercomputer Center
 

Glassy Dynamics and Identity Crises in Hard Particle Systems

Steven Gordon, Ohio Supercomputer Center
 

High Fidelity Blade-Resolved Wind Farm Simulations

Steven Gordon, Ohio Supercomputer Center
 

High Accuracy 3D Radiative Transfer in Cloudy Atmospheres

Steven Gordon, Ohio Supercomputer Center
 

Developing a hybrid continuum-particle method for simulating large-scale heterogeneous biomolecular systems

Steven Gordon, Ohio Supercomputer Center
 

Machine Learning Harnesses Molecular Dynamics to Develop Therapeutic Strategies for Alzheimer's Disease and Chronic Pain

Steven Gordon, Ohio Supercomputer Center
 

Nonlinear scaling of climate change impacts in headwater catchments

Steven Gordon, Ohio Supercomputer Center
 

Electronic structure and operando spectroscopic characterization of active sites in oxygen-evolving catalyst NiFe oxyhydroxide

Steven Gordon, Ohio Supercomputer Center
 

Exoplanet Discovery in the Kepler and K2 Missions

Steven Gordon, Ohio Supercomputer Center
 

Quantifying Defect Tolerance in Semiconductors

Steven Gordon, Ohio Supercomputer Center
 

Multiscale investigation of self-assembling π-conjugated peptides

Steven Gordon, Ohio Supercomputer Center
 

Comprehensive Computational Models of Polymeric Nanoparticles for Drug Delivery

William Payne, Ohio Supercomputer Center
 

Impact of Mutations on Charge Transfer in DNA-Binding Proteins Containing Iron-Sulfur Clusters

Ruijie Darius Teo, Shodor Education Foundation, Inc.
 

Bridging the Water Resources Gap, Investigating Alternatives for Hydraulic Fracturing using Reactive Transport Modeling

Kara Marsac, Shodor Education Foundation, Inc.
 

Improving Convectively-Induced Turbulence Forecast Parameters through Bulk Numerical Simulations for Aviation Safety

Katelyn Barber, Shodor Education Foundation, Inc.
 

Resolving plant functional biodiversity to quantify forest drought resistance in the Amazon

Steven Gordon, Ohio Supercomputer Center
 

Using high-resolution ocean models to determine the importance of wind-wave induced sediment transport in estuaries

Steven Gordon, Ohio Supercomputer Center
 

Incorporating experimental restraints into parallel ensemble simulation to refine the conformations of flexible proteins

Steven Gordon, Ohio Supercomputer Center
 

Looking Out for the Little Guy: A Comprehensive Study of Star Formation in Dwarf Galaxies

Elaad Applebaum, Shodor Education Foundation, Inc.
 

High performance computational comparison of complex lung airflow patterns

Robert Cieri, Shodor Education Foundation, Inc.
 

Enabling Petascale Computational Astrophysics with the Enzo-P/Cello Project

Andrew Emerick, Shodor Education Foundation, Inc.
 

Understanding and predicting anticyclonic flow around islands with shallow reef-lagoon systems

Walter Torres, Shodor Education Foundation, Inc.
 

Examination of Bluff Body Stabilized Turbulent Premixed Flames Using Direct Numerical Simulations

Samuel Whitman, Shodor Education Foundation, Inc.
 

Magnetohydrodynamic Simulations of Galaxies for Next Generation Supercomputers

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Electron Density-Based Machine Learning for Accelerating Quantum Calculations

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Improved Gauge Conditions for Binary Black Hole Simulations

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Escaping from an Ultracold Inferno: The Ultracold KRb Dimer Reaction

Scott A Lathrop, Shodor Education Foundation, Inc.
 

The Impacts of Hydrometeor Centrifuging on Tornado Dynamics

Steven Gordon, Ohio Supercomputer Center
 

Modeling the Multiphase Interstellar Medium in Galaxies with GPU Accelerated Time-Dependent Chemistry

Alexander Gurvich, Shodor Education Foundation, Inc.
 

Investigating Source Mechanisms of Intermediate-Depth Earthquakes Across Various Tectonic Regions

Shanna Chu, Shodor Education Foundation, Inc.
 

Studying the Influence of Dynamic Instabilities on Terrestrial Planetary Formation

Steven Gordon, Ohio Supercomputer Center
 

Escaping from an Ultracold Inferno: The Ultracold KRb Dimer Reaction

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Improved Gauge Conditions for Binary Black Hole Simulations

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Electron Density-Based Machine Learning for Accelerating Quantum Calculations

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Magnetohydrodynamic Simulations of Galaxies for Next Generation Supercomputers

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Simulating and evaluating atmospheric river-related precipitation in High Mountain Asia

Scott A Lathrop, Shodor Education Foundation, Inc.
 

TorchGeo: torchvision for geospatial data

Scott A Lathrop, Shodor Education Foundation, Inc.
 

A Computational Account of Human Visual Reasoning

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Seeing the forest and the trees: Drone based Phenological Monitoring in the Amazonian Rain Forest.

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Data-driven space-time models for generalizing reservoir operations to improve streamflow forecasting over the contiguous U.S.

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Blue Waters Professor

Andre Schleife, University of Illinois at Urbana-Champaign

Daniel Bodony, University of Illinois at Urbana-Champaign

So Hirata, University of Illinois at Urbana-Champaign

Martin Gruebele, University of Illinois at Urbana-Champaign

Klaus Schulten, University of Illinois at Urbana-Champaign

David Ceperley, University of Illinois at Urbana-Champaign

Bryan Clark, University of Illinois at Urbana-Champaign

Bill Gropp, University of Illinois at Urbana-Champaign

Athol Kemball, University of Illinois at Urbana-Champaign

Larry Di Girolamo, University of Illinois at Urbana-Champaign

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign

Paul Fischer, University of Illinois at Urbana-Champaign

Sonia Lasher-Trapp, University of Illinois at Urbana-Champaign

Robert Trapp, University of Illinois at Urbana-Champaign

Vincent Le Chenadec, University of Illinois at Urbana-Champaign

Diwakar Shukla, University of Illinois at Urbana-Champaign

Kaiyu Guan, University of Illinois at Urbana-Champaign

Mattia Gazzola, University of Illinois at Urbana-Champaign

Kathryn Huff, University of Illinois at Urbana-Champaign

Bill Gropp, University of Illinois at Urbana-Champaign

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign

Kathryn Huff, University of Illinois at Urbana-Champaign

Bryan Clark, University of Illinois at Urbana-Champaign

Paul Fischer, University of Illinois at Urbana-Champaign

Kaiyu Guan, University of Illinois at Urbana-Champaign

Sonia Lasher-Trapp, University of Illinois at Urbana-Champaign

Larry Di Girolamo, University of Illinois at Urbana-Champaign

Diwakar Shukla, University of Illinois at Urbana-Champaign

Athol Kemball, University of Illinois at Urbana-Champaign

David Ceperley, University of Illinois at Urbana-Champaign

Robert Trapp, University of Illinois at Urbana-Champaign

Mattia Gazzola, University of Illinois at Urbana-Champaign

Andre Schleife, University of Illinois at Urbana-Champaign

So Hirata, University of Illinois at Urbana-Champaign

Daniel Bodony, University of Illinois at Urbana-Champaign

Innovation

Blue Waters Reliability Study

William T. Kramer, University of Illinois at Urbana-Champaign
 

OLCF

William T. Kramer, University of Illinois at Urbana-Champaign
 

GPU Supercomputing on Blue Waters

William T. Kramer, University of Illinois at Urbana-Champaign
 

LSST Scaling Study

William T. Kramer, University of Illinois at Urbana-Champaign
 

Log Analysis

William T. Kramer, University of Illinois at Urbana-Champaign
 

Storage

William T. Kramer, University of Illinois at Urbana-Champaign
 

NCAR

William T. Kramer, University of Illinois at Urbana-Champaign
 

NCAR MOU

David Hart, National Center for Atmospheric Research
 

High-Throughput Disk-To-Disk Sorting Algorithm Benchmark

Karl Schulz, University of Texas at Austin
 

BSC - JLESC

William T. Kramer, University of Illinois at Urbana-Champaign
 

Evaluating Novel Load Balancing Algorithms for Particle Advection Toward Integration in VisIt's Infrastructure

Robert Sisneros, University of Illinois at Urbana-Champaign
 

Joint Lab - INRIA

William T. Kramer, University of Illinois at Urbana-Champaign
 

Dark Energy Survey

Donald Petravick, University of Illinois at Urbana-Champaign
 

UTK

William T. Kramer, University of Illinois at Urbana-Champaign
 

Network and Data Movement Testing with ESnet, NERSC and LBNL

William T. Kramer, University of Illinois at Urbana-Champaign
 

Enhanced Digital Elevation Model for the Arctic

Paul Morin, University of Minnesota
 

Strategies for Topology and Application Aware Job Resource Management in 3D Torus-based Blue Waters System

Jaroslaw Nabrzyski, University of Notre Dame
 

Tracking the Influenza Pandemic in the Continental United States using EpiSimdemics

Abhinav Bhatele, Lawrence Livermore National Laboratory
 

Compressible Large Eddy Simulation of a Film Cooled Stage One Nozzle at Different Freestream Turbulence Levels

Gregory Michael Laskowski, General Electric
 

Particulate Matter Prediction and Source Attribution for U.S. Air Quality Management in a Changing World

Donald J. Wuebbles, University of Illinois at Urbana-Champaign
 

Blue Waters Workload Analysis

William T. Kramer, University of Illinois at Urbana-Champaign
 

Numerical simulation analysis for grid convergence and code validation studies using the NASA CRM wing-body-nacelle-pylon configuration

Jong Lee, University of Illinois at Urbana-Champaign
 

Quantum Effects of Proton Transfer in Biological Systems

James Mazzuca, Alma College
 

Image Processing to Support The Reference Elevation Model of Antarctica (REMA)

Ian Howat, Ohio State University
 

Cloud Computing Systems at Scale: Better Systems Designs for NoSQL, Distributed graph processing, and Hadoop

Indranil Gupta, University of Illinois at Urbana-Champaign
 

Improving NWCHEM scalability using Dataspaces framework

Gregory Bauer, University of Illinois at Urbana-Champaign
 

RIKEN

William T. Kramer, University of Illinois at Urbana-Champaign
 

Rapid Award to assist LIGO in the discovery of new Gravitational Wave Transients

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign
 

CESM2 porting and testing

Susan Bates, National Center for Atmospheric Research
 

Fine-scale geospatial interpolation of variants across hundreds of genomes to determine drivers of speciation

Greer Dolby, Arizona State University
 

Efficient Hypersonic Transition Prediction Method - Blue Waters Computing Allocation Proposal

Oliver M. F. Browne, University of Kentucky
 

Tissue specific mRNA isoform function prediction

Julie Dickerson, Iowa State University
 

graphical representation of objects Supercomputer Application

John Cavazos, University of Delaware
 

Numerical Simulations of a Collapsing Cavitation Bubble near an Elastically Deformable Object

Zhen Xu, University of Michigan
 

Optimization of the Amber Force Field for Nucleic Acid Bases

Victor Anisimov, Individual Award/Unaffiliated
 

Materials Simulations in Geophysics

Renata Wentzcovitch, Columbia University
 

HPC enabled design of early-stage quantum information processing chips

Rajib Rahman, Purdue University
 

Revealing mechanistic insights into the drug-induced disruption of the hepatitis B virus capsid through the computational microscope

Jodi Hadden, University of Delaware
 

DNS Investigation of Compressibility Effects on Separating and Reattaching Shear Layers

Farzad Mashayek, University of Arizona
 

Direct computation of jet noise using a high-order FR/CPR large eddy simulation solver

Zhi Jian Wang, University of Kansas
 

Convection in Low-Mass Stars

Jane Pratt, Georgia State University
 

A machine learning approach to understanding HPC application performance variation

Benjamin Schwaller, Sandia National Laboratories
 

Robust, scalable object detection among millions of images

Garrett Vo, National Geospatial-Intelligence Agency
 

National Geospatial Intelligence Research

Scott A Lathrop, Shodor Education Foundation, Inc.
 

Large Synoptic Survey Telescope

Donald Petravick, University of Illinois at Urbana-Champaign
 

NCSA Industry Staff

Ahmed Taha, University of Illinois at Urbana-Champaign
 

Effects of Intense Storms on Sea Ice and Ocean Properties in an Ultra-high Resolution Coupled Ocean-Ice General Circulation Model

Xiangdong Zhang, University of Alaska, Fairbanks
 

Computational modeling of ring-like DNA-nanotube sensors of neurotransmitters

Lela Vukovic, University of Texas at El Paso
 

DIRECT NUMERICAL SIMULATIONS OF TURBULENCE SUPPRESSION IN ROTATING PIPE FLOWS

Christoph Brehm, University of Kentucky
 

Continental-scale remote monitoring of invasive species dynamics through petascale high performance computing system

Chunyuan Diao, University of Illinois at Urbana-Champaign
 

High-End Visualization of Coherent Structures and Turbulent Events in Wall-Bounded Flows with a Passive Scalar

Guillermo Araya, University of Puerto Rico, Mayaguez
 

Machine learning for error quantification in simulating the climate impacts of atmospheric aerosols

Nicole Riemer, University of Illinois at Urbana-Champaign
 

Figuring Out Gas & Galaxies in Enzo (FOGGIE): Galaxy Evolution in a Resolved Intergalactic Medium

Molly Peeples, Space Telescope Science Institute
 

Spin spirals in bismuth ferrite from first principles

Bin Xu, University of Arkansas
 

Deforestation of the Amazon Forest and its Impact on the Hydroclimate of South America

Francina Dominguez, University of Illinois at Urbana-Champaign
 

Numerical Study on SWBLI in a MVG controlled ramp

Yonghua Yan, Jackson State University
 

Tree Crown Area, 50 cm 2-D Satellite Imagery, and Deep Learning

Compton Tucker, NASA Goddard Space Flight Center
 

Flood Inundation Surface Topology (FIST) Modeling and Applications

Kevin Dobbs, National Geospatial-Intelligence Agency
 

Investigating the Molecular Mechanisms of Proarrhythmic hERG Channel Blockade Using Molecular Dynamics Simulations

Colleen E Clancy, University of California, Davis
 

Geomagnetic Secular Variation Forecast with Ensemble Kalman-filter Data Assimilation System

Nikolaos Pavlis, National Geospatial-Intelligence Agency
 

Evaluation of the determinants of biological membrane shape with advanced all-atom simulations

Jose Faraldo-Gomez, National Institutes of Health
 

DOE Research

Brett Bode, University of Illinois at Urbana-Champaign