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Blue Waters Projects

PRAC | GLCPC | Illinois | Industry | Education | Graduate Fellows | Blue Waters Professor | Innovation |

 

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;
 

Simulating vesicle fusion on Blue Waters

Vijay Pande, Stanford University;
 

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

Thomas Jordan, University of Southern California;
 

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;
 

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

Thomas Quinn, University of Washington;
 

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

Gregory Voth, University of Chicago;
 

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;
 

Petascale Simulation of Turbulent Stellar Hydrodynamics

Paul R. Woodward, University of Minnesota;
 

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

Peter Diener, Louisiana State University;
 

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

Cristiana Stan, Center for Ocean-Land-Atmosphere Studies;
 

Petascale Simulations of Complex Biological Behavior in Fluctuating Environments

Ilias Tagkopoulos, University of California, Davis;
 

System Software for Scalable Applications

Bill Gropp, University of Illinois at Urbana-Champaign;
 

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;
 

Petascale Simulations of Core-Collapse Supernovae and Hypermassive Neutron Stars

Christian Ott, California Institute of Technology;
 

Core-Collapse Supernovae Through Cosmic Time

Eric Lentz, University of Tennessee, Knoxville;
 

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;
 

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

Ashok Srinivasan, Florida State University;
 

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

Thomas Cheatham, University of Utah;
 

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

Klaus Schulten, University of Illinois at Urbana-Champaign;
 

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

Shantenu Jha, Rutgers, the State University of New Jersey;
 

Predicting protein structures with physical petascale molecular simulations

Ken Dill, SUNY at Stony Brook;
 

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

Paul R. Woodward, University of Minnesota;
 

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

Thomas Cheatham, University of Utah;
 

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

Michael Norman, University of California, San Diego;
 

Sequence Similarity Networks for the Protein Universe

John Gerlt, University of Illinois at Urbana-Champaign;
 

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

Ilias Tagkopoulos, University of California, Davis;
 

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

Jerry Draayer, Louisiana State University;
 

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

Scott Noble, University of Tulsa;
 

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

Lijun Liu, University of Illinois at Urbana-Champaign;
 

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

Sharon Glotzer, University of Michigan;
 

Investigating the Role of Turbulence in Hastening Warm-Cloud Precipitation

Sarma Rani, University of Alabama, Huntsville;
 

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

Brian O'Shea, Michigan State University;
 

High Resolution Earth System Modeling Using Blue Waters Capabilities

Robert Rauber, University of Illinois at Urbana-Champaign;
 

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

Brian O'Shea, Michigan State University;
 

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

Tiziana Di Matteo, Carnegie Mellon University;
 

ArcticDEM Production

Paul Morin, University of Minnesota;
 

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

Vincenzo Carnevale, Temple University;
 

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

Tiziana Di Matteo, Carnegie Mellon University;
 

High Energy Physics on Blue Waters

Paul Mackenzie, Fermi National Accelerator Laboratory;
 

GPU-enabled General Relativistic Simulations of Jetted Tidal Disruptions of Stars by Supermassive Black Holes

Alexander Tchekhovskoy, University of California, Berkeley;
 

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

Ivan Soltesz, Stanford University;
 

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

Jamesina Simpson, University of Utah;
 

Transformative Petascale Particle-in-cell simulations

Warren Mori, University of California, Los Angeles;
 

Massively-parallel Electronic Structure Calculations for Energy Applications

Sohrab Ismail-Beigi, Yale University;
 

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

Nikolai Pogorelov, University of Alabama, Huntsville;
 

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

Vadim Roytershteyn, Space Science Institute;
 

Advanced Nanoelectronic Device Design with Atomistic Simulations

Gerhard Klimeck, Purdue University;
 

Advanced Space Weather Modeling

Gabor Toth, University of Michigan;
 

The free energy landscapes governing the function of complex biomolecular machines

Benoit Roux, University of Chicago;
 

Path Integral Monte Carlo Simulations of Dense Plasma

Burkhard Militzer, University of California, Berkeley;
 

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

Yi-Hsin Liu, University of Maryland, College Park;
 

Unified Modeling of Galaxy Populations in Clusters

Thomas Quinn, University of Washington;
 

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;
 

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;
 

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;
 

3-D Stellar Hydrodynamics Simulations for Convective-Reactive Nucleosynthesis

Paul R. Woodward, University of Minnesota;
 

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

Thomas Jordan, University of Southern California;
 

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

Shantenu Jha, Rutgers, the State University of New Jersey;
 

Simulating Faintest Galaxies in the JWST Era

Nickolay Gnedin, University of Chicago;
 

Continuation of Petascale Simulation of HED Plasmas

Warren Mori, University of California, Los Angeles;
 

High Resolution Earth System Modeling for International Climate Assessment

Ryan Sriver, University of Illinois at Urbana-Champaign;
 

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

Jerry Draayer, Louisiana State University;
 

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;
 

Petascale integrative approaches to protein structure prediction

Ken Dill, SUNY at Stony Brook;
 

The Computational Microscope

Emad Tajkhorshid, University of Illinois at Urbana-Champaign;
 

GLCPC

Atomistic Modeling of Real World Nanoelectronics Devices

Gerhard Klimeck, Purdue University
 

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
 

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

Benoit Roux, University of Chicago;
 

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

Karen Tomko, Ohio State University;
 

Rotational Turbulence in Magnetized Cylindrical Couette Flow

Fausto Cattaneo, University of Chicago;
 

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

Michael Wilde, University of Chicago;
 

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

Jerry Draayer, Louisiana State University;
 

Modeling of Peptide-mediated Ribosome Stalling with Antibiotics

Alexander Mankin, University of Illinois at Chicago;
 

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

David Dixon, University of Alabama
 

Policy Responses to Climate Change in a Dynamic Stochastic Economy

Lars Hansen, University of Chicago;
 

Modeling the Bacterial Copper Transport Efflux Pump

Fatemeh Khalili-Araghi, University of Illinois at 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, University of Minnesota;
 

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 Notre Dame;
 

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;
 

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

Shankar Subramaniam, Iowa State University;
 

Computational mapping of DNA-binding protein affinity landscapes

Peter Freddolino, University of Michigan
 

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;
 

Molecular Dynamics Simulations of Viral Capsids at Constant pH

Benoit Roux, University of Chicago;
 

Thermodynamic Characterization of Conformational Landscape in Proton-Coupled Oligopeptide Transporters

Mahmoud Moradi, University of Arkansas;
 

Towards Petascale High Fidelity MHD Simulation of Galaxy Cluster Formation

Thomas Jones, University of Minnesota;
 

Petascale simulations to understand how viral membrane organization controls influenza entry

Peter Kasson, University of Virginia;
 

Computational mapping of DNA-binding protein affinity landscapes

Peter Freddolino, University of Michigan;
 

Collisional N-body Simulations of Large-N Star Clusters

Sourav Chatterjee, Northwestern University;
 

Molecular Dynamics Simulations of Cell-Cell Adhesion Complexes

Marcos Sotomayor, Ohio State University;
 

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

Dinshaw Balsara, University of Notre Dame;
 

Policy Responses to Climate Change in a Dynamic Stochastic World

Lars Hansen, University of Chicago;
 

Paracellular Transport Mechanism in Tight Junctions

Fatemeh Khalili-Araghi, University of Illinois at Chicago;
 

Tilted Disks Around Black Holes: Elucidating the Alignment Mechanism

John Hawley, University of Virginia; Julian H. Krolik, Johns Hopkins University
 

Highly-scalable Open-source Solvers for Turbulent Combustion

Venkat Raman, University of Michigan;
 

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

Claude-Andre Faucher-Giguere, Northwestern University;
 

Dispersion of fully resolved liquid droplets in isotropic turbulent flow

Said Elghobashi, University of California, Irvine;
 

Policy Responses to Climate Change in a Dynamic Stochastic Economy

Yongyang Cai, Ohio State University; William Brock, University of Wisconsin; Thomas Hertel, Purdue University
 

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

Dinshaw Balsara, University of Notre Dame
 

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; Jay Charney, U.S. Forest Service; Alan Srock, St. Cloud State University
 

Image Processing to Build a Multi-Temporal Vegetation Elevation Model (MTVEM) of the Great Lakes Basin

Jennifer Corcoran, University of Minnesota, Twin Cities; ; Keith Pelletier, University of Minnesota, Twin Cities; James Klassen, SharedGeo; Joseph Knight, University of Minnesota, Twin Cities
 

Illinois

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

Narayana Aluru, University of Illinois at Urbana-Champaign;
 

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;
 

Accurate Sequence Alignment Using Distributed Filtering on GPU Clusters

C. Victor Jongeneel, 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;
 

The Dynamics of Protein Disorder and its Evolution

Gustavo Caetano-Anolles, 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;
 

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;
 

Sequence Similarity Networks for the Protein "Universe"

John Gerlt, University of Illinois at Urbana-Champaign;
 

Computational Exploration of Unconventional Superconductors Using Quantum Monte Carlo

Lucas Wagner, 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;
 

Numerical Simulations of Supercells and Embedded Tornadoes

Robert Wilhelmson, University of Illinois at Urbana-Champaign;
 

Quantum-Classical Path Integral Simulation of Proton and Electron Transfer

Nancy Makri, 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
 

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;
 

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

Curtis Johnson, 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;
 

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;
 

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;
 

High-Performance Hybrid Computation Platform for Astronomy Data Classification

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

Should Datacenters Converge and Supercomputers Converge?

Indranil Gupta, 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;
 

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

Matthew West, University of Illinois at Urbana-Champaign
 

Advancing genome-scale phylogenomic analysis

Tandy Warnow, 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;
 

The CADENS Blue Waters Visualization Project

Donna Cox, University of Illinois at Urbana-Champaign;
 

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

Narayana Aluru, University of Illinois at Urbana-Champaign;
 

VLSI Routing and Estimation Intern

Peter Yoon, Trinity College;
 

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;
 

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;
 

Non-Adiabatic Ultrafast Electron-Ion Dynamics Near Aluminum Surfaces

Andre Schleife, University of Illinois at Urbana-Champaign;
 

The Missing Moore Graph

Gul Abdulnabi Agha, 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;
 

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;
 

Deep Learning: Modeling Financial Data and Reinforcement Learning

Justin Sirignano, 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;
 

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

Tao Xie, 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;
 

Numerical Simulations of Supercells and Embedded Tornadoes

Robert Wilhelmson, 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;
 

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

Deborah Levin, 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;
 

Characterizing Functional Motions and Molecular Mechanisms of Sugar Transporters

Emad Tajkhorshid, University of Illinois at Urbana-Champaign;
 

Efficient, Scalable, and Fault Tolerant Genomics Pipelines

Ravishankar Iyer, University of Illinois at Urbana-Champaign;
 

PARALLEL ALGORITHMS FOR SOLVING LARGE ASSIGNMENT PROBLEMS

Rakesh Nagi, 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;
 

Evaluating Data-Driven Detectors of Electricity Theft in Smart Grids

William Sanders, 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;
 

Cellulosome Structure Determination: Combining Atomistic Simulations and Experimental Assays

Isaac Cann, University of Illinois at Urbana-Champaign;
 

A Computational Model for Causal Inference via Subset Selection

Wendy Cho, University of Illinois at Urbana-Champaign;
 

Scalable Sparse Solvers

Luke Olson, 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;
 

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

Ryan Sriver, University of Illinois at Urbana-Champaign;
 

Atomistic Modeling of Transformations in Ionic Semiconductor Nanocrystals

Prashant Jain, University of Illinois at Urbana-Champaign;
 

Assessing CESM scalability for hierarchical model ensembles

Ryan Sriver, 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;
 

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

Matthew West, 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;
 

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

Deborah Levin, 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;
 

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

Tandy Warnow, 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;
 

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;
 

Protein structure prediction using deep neural networks

Jian Peng, University of Illinois at Urbana-Champaign;
 

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

Narayana Aluru, University of Illinois at Urbana-Champaign;
 

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 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;
 

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;
 

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

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

Atomic Resolution Description of the Transport Cycle in Neurotransmitter

Emad Tajkhorshid, 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;
 

Developing and Tuning Communication-Avoiding Numerical Algorithms

Edgar Solomonik, 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;
 

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;
 

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

Andre Schleife, 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;
 

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;
 

Whole cell simulations of Escherichia coli and Saccharomyces cerevisiae

Zaida Luthey-Schulten, 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;
 

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

Diwakar Shukla, University of Illinois at Urbana-Champaign;
 

Minimal mixing: Exploring the Veering Automata

Mark Bell, 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; Jamshid Ghaboussi, University of Illinois at Urbana-Champaign; Parijat Sengupta, University of Illinois at Urbana-Champaign; Stephen Boppart, 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;
 

Large Scale Solution of Constrained Systems via Monolithic Multigrid

Luke Olson, 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;
 

Enabling Redistricting Reform: A Computational Study of Zoning Optimization

Wendy Cho, 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;
 

Improved Methods for Big-data Phylogenomics, Proteomics, and Metagenomics

Tandy Warnow, 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; Robert Vincent Gramillano, 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; Amir Farbin, University of Texas at Arlington
 

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; Peter L. Walters, University of Illinois at Urbana-Champaign; Amartya Bose, University of Illinois at Urbana-Champaign
 

How function shapes dynamics in evolution of protein molecules

Gustavo Caetano-Anolles, University of Illinois at Urbana-Champaign; Frauke Gräter, Heidelberg Institute for Theoretical Studies; Edmond Lau, Lawrence Livermore National Laboratory
 

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 Illinois at Urbana-Champaign;
 

Verification of a global aerosol model using a 3D particle-resolved model (WRF-PartMC)

Matthew West, University of Illinois at Urbana-Champaign; Nicole Riemer, University of Illinois at Urbana-Champaign; Je rey H. Curtis, University of Illinois at Urbana-Champaign
 

Multiphysics Modeling of Steel Continuous Casting

Brian Thomas, 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;
 

Search for Missing Variants in Large Exome Sequencing Projects by Optimization of Analytic Pipelines, in application to Alzheimer’s disease

Liudmila Mainzer, 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 Illinois at Urbana-Champaign;
 

Data-driven Model Reduction of Turbulent Flows using Deep Learning

Maciej Balajewicz, 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; Erin Molloy, University of Illinois at Urbana-Champaign; Tandy Warnow, 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;
 

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

Brad Sutton, 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; William D. Gropp, University of Illinois at Urbana-Champaign
 

Ultra-high Resolution Astrophysical Simulations with GAMER

Hsi-Yu Schive, University of Illinois at Urbana-Champaign; Matthew Turk, 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;
 

Holistic Monitoring and Diagnosis of Large-Scale Application Performance Degradation

Ravishankar Iyer, 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; Sayan Bhattacharyya, University of Pennsylvania; José Eduardo González, University of Nebraska, Lincoln
 

The CADENS Blue Waters Visualization Project

Donna Cox, University of Illinois at Urbana-Champaign; Bob Patterson, University of Illinois at Urbana-Champaign; Stuart Levy, University of Illinois at Urbana-Champaign; Kalina Borkiewicz, University of Illinois at Urbana-Champaign; AJ Christensen, University of Illinois at Urbana-Champaign; Jeff Carpenter, University of Illinois at Urbana-Champaign; Matt Turk, 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; Revathi Jambunathan, University of Illinois at Urbana-Champaign
 

Dark Energy Survey

Felipe Menanteau, University of Illinois at Urbana-Champaign; Robert Gruendl, University of Illinois at Urbana-Champaign; Donald Petravick, University of Illinois at Urbana-Champaign; Erin Sheldon, Brookhaven National Laboratory
 

Massively Parallel Simulation of Vacancy-Jog Interaction with ParSplice

Dallas Trinkle, University of Illinois at Urbana-Champaign; Danny Perez, Los Alamos National Laboratory
 

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

Chi-Hing Cheng, 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; Sudhakar Pamidighantam, University of Illinois at Urbana-Champaign; Daniel Dumett Torres, 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;
 

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

Eliu Huerta Escudero, University of Illinois at Urbana-Champaign;
 

Machine learning assisted protein identification with highly sensitive MoS2 nanopores

Narayana Aluru, 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;
 

Studies In Theoretical Astrophysics and General Relativity

Stuart Shapiro, University of Illinois at Urbana-Champaign; Milton Ruiz, University of Illinois at Urbana-Champaign; Antonios Tsokaros, University of Illinois at Urbana-Champaign; Vasileios Paschalidis, Princeton University
 

Parallel Algorithms for Solving Graph Assignment Problems

Rakesh Nagi, University of Illinois at Urbana-Champaign; Ketan Date, University of Illinois at Urbana-Champaign
 

Patient-specific Models for Virtual Prototyping and Vascular Surgical Planning

Arif Masud, University of Illinois at Urbana-Champaign; Tor Jensen, 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; Li-Qing Chen, University of Illinois at Urbana-Champaign
 

Quantum-classical path integral simulation of electronic transitions

Nancy Makri, University of Illinois at Urbana-Champaign; Amartya Bose, University of Illinois at Urbana-Champaign
 

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

Deborah Levin, University of Illinois at Urbana-Champaign; Saurabh Sawant, University of Illinois at Urbana-Champaign
 

Progenitor dependence in Core-Collapse Supernova Simulations

Roland Haas, University of Illinois at Urbana-Champaign; Edward Seidel, University of Illinois at Urbana-Champaign; Luke Roberts, Michigan State University; Philipp Moesta, UC-Berkeley; Eliu Huerta, 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; Paul Fischer, University of Illinois at Urbana-Champaign; Som Dutta, University of Illinois at Urbana-Champaign
 

High Resolution Modeling of Turbulence in Wave Boundary Layers

Marcelo Garcia, University of Illinois at Urbana-Champaign; Paul Fischer, University of Illinois at Urbana-Champaign
 

Simulation of a Complete Model of a Cellular Membrane

Emad Tajkhorshid, 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;
 

Computational Drug Discovery on Blue Waters with FEP+ software

Maria Argiriadi, AbbVie
 

HDF5 performance benchmark testing

Larry Knox, The HDF Group
 

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, Shodor Education Foundation, Inc.
 

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
 

Supercomputing Software and Curriculum Internship for Undergraduates

Aaron Weeden, Shodor Education Foundation, Inc.;
 

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
 

Improving the scalability of Mothur for large metagenomic studies

Charles Peck, Earlham College
 

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

Aaron Weeden, Shodor Education Foundation, Inc.
 

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;
 

Parallelizing Suffix Array Construction

Ana Gonzalez, University of Puerto Rico, Mayaguez
 

Non-Impulsive Trajectory Modeling for Interplanetary Cargo Missions

Hans Mark, University of Texas at Austin;
 

Modeling Galaxy Formation using Robust Machine Learning Techniques

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

Parallel Implementation of Bayesian Network Structure Learning Algorithms

Timothy O'Neil, University of Akron;
 

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;
 

Predicting Microbial Genome-Encoded Biomolecular Networks

Raphael Isokpehi, Bethune-Cookman University;
 

Augmented Reality Visualization of BW Data

Alan Craig, University of Illinois at Urbana-Champaign
 

Molecular Dynamics Simulations of Cosolvent Effects on Protein Stability

Angel Garcia, Rensselaer Polytechnic Institute
 

HPC Database Implementation

Paul Hemler, Hampden-Sydney College
 

Topological Methods for Plant Phenomics Data

Ananth Kalyanaraman, Washington State University;
 

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

Thomas Bishop, Louisiana Tech University;
 

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

Anastassia Alexandrova, University of California, Los Angeles
 

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

Dan Negrut, University of Wisconsin-Madison;
 

Toward simulating Black Widow binaries with CASTRO

Alan Calder, SUNY at Stony Brook;
 

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, Shodor Education Foundation, Inc.;
 

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;
 

Workflow Optimization for Comparative Molecular Dynamics of Mono-Nucleosomes

Thomas Bishop, Louisiana Tech University;
 

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

Samantha Foley, University of Wisconsin-La Crosse;
 

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

Dorel Moldovan, Louisiana State University;
 

Information Provisioning

Jeremy Enos, University of Illinois at Urbana-Champaign;
 

2016 SPIN Student Projects

Gregory Bauer, University of Illinois at Urbana-Champaign;
 

Photonic and plasmonic properties of metamaterials

Reed Hodges, Georgia Southern University;
 

Photonic and plasmonic properties of metamaterials

Maxim Durach, Georgia Southern University;
 

Exploring computational plasma physics and exascale fluid dynamics codes

Brian O'Shea, Michigan State University;
 

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

Daniel Autrey, Fayetteville State 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;
 

Implementing HPC Bioinformatics Algorithms

Angela Shiflet, Wofford College;
 

Bioinformatics Analysis for Cancer Gene Mutations

Ming-Ying Leung, University of Texas at El Paso;
 

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;
 

Reproducible Basic Linear Algebra Subroutines (ReproBLAS)

James Demmel, University of California, Berkeley;
 

High Performance Data Analytics for Brain State Modeling

Hong Lin, University of Houston-Downtown;
 

Kinetic Monte Carlo study of crystal growth

Henry Boateng, Bates College;
 

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

Zulfiquar Reza, University of Oklahoma;
 

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

Guillermo Araya, University of Puerto Rico, Mayaguez;
 

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
 

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

Arif Masud, University of Illinois at Urbana-Champaign;
 

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

Stephen Harnish, Bluffton University
 

Understanding Catalytic Hydrogen Oxidation/Reduction in Metal-Sulfur Proteins

Sergey Varganov, University of Nevada-Reno;
 

Molecular Modeling of Amyloid Aggregation

David Bevan, Virginia Polytechnic Institute and State University;
 

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

Robert Panoff, Shodor Education Foundation, Inc.
 

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

Xinlian Liu, Hood College
 

ACS PHYS graduate student award in theoretical chemistry

Anastassia Alexandrova, University of California, Los Angeles
 

Graduate Fellows

Frequency Parallelization of the Inverse Dielectric Matrix in the BerkeleyGW Code

Derek Vigil-Fowler
 

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

Kenza Arraki, New Mexico State University
 

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

Ariana Minot, Harvard University
 

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

Edwin Mathews, University of Notre Dame
 

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

Matthew Clayton Bedford, University of Alabama in Huntsville
 

Massively Parallel Graph Analytics

George Michael Slota, The Pennsylvania State University
 

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

Thomas Allen, University of Illinois at Urbana-Champaign
 

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

Larissa Reames, the University of Oklahoma
 

Modeling the Ocean Energetics Through Horizontal Convection

Varvara E Zemskova, University of North Carolina at Chapel Hill
 

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

Sara Kokkila, Stanford University
 

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

Joshua Méndez, Georgia Institute of Technology
 

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

Maureen Brooks, University of Maryland College Park
 

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

Sam Totorica, Stanford University
 

Impacts of Silent Data Corruptions on HPC Application Runtimes

Jon Calhoun, University of Illinois at Urbana-Champaign
 

The Effect of Cosmic Rays on Galactic Magnetic Field Evolution

Iryna Butsky, University of Washington
 

Multiscale simulations of complex fluid rheology

Michael Howard, Princeton University
 

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

Sherwood Richers, California Institute of Technology
 

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

Justin Drake, The University of Texas Medical Branch
 

Characterizing HIV Transmission Networks Through Sensitivity Analyses and Simulations

August Guang, Brown University
 

Glassy Dynamics and Identity Crises in Hard Particle Systems

Erin Teich, University of Michigan
 

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

Paul Hime, University of Kentucky
 

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

Sean Seyler, Arizona State University
 

High Fidelity Blade-Resolved Wind Farm Simulations

Andrew Kirby, University of Wyoming
 

High Accuracy 3D Radiative Transfer in Cloudy Atmospheres

Alexandra Louise Jones, University of Illinois at Urbana-Champaign
 

Nonlinear scaling of climate change impacts in headwater catchments

Steven Gordon, Ohio Supercomputer Center
 

Exoplanet Discovery in the Kepler and K2 Missions

Steven Gordon, Ohio Supercomputer Center
 

The Impacts of Hydrometeor Centrifuging on Tornado Dynamics

Ronald Stenz, University of North Dakota
 

Comprehensive Computational Models of Polymeric Nanoparticles for Drug Delivery

Steven Gordon, Ohio Supercomputer Center
 

Quantifying Defect Tolerance in Semiconductors

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
 

Studying the Influence of Dynamic Instabilities on Terrestrial Planetary Formation

Steven Gordon, Ohio Supercomputer Center
 

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

Elizabeth Agee, University of Michigan
 

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

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
 

Multiscale investigation of self-assembling π-conjugated peptides

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
 

Blue Waters Professor

Andre Schleife, University of Illinois at Urbana-Champaign

Martin Gruebele, University of Illinois at Urbana-Champaign

Daniel Bodony, University of Illinois at Urbana-Champaign

So Hirata, 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

Aleksei Aksimentiev, University of Illinois at Urbana-Champaign

Larry Di Girolamo, 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

Kathryn Huff, University of Illinois at Urbana-Champaign

Mattia Gazzola, 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
 

Storage

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

NCAR

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

Log Analysis

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;
 

Large Synoptic Survey Telescope

Donald Petravick, University of Illinois at Urbana-Champaign;
 

NCSA Industry Staff

Ahmed Taha, University of Illinois at Urbana-Champaign