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Blue Waters Projects

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

 

PRAC

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

Gregory Voth, University of Chicago;
 

Investigating the Role of Turbulence in Hastening Warm-Cloud Precipitation

Sarma Rani, University of Alabama, Huntsville;
 

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

Scott Noble, University of Tulsa;
 

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

Michael Norman, University of California, San Diego;
 

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

Brian O'Shea, Michigan State University;
 

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

Thomas Cheatham, University of Utah;
 

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

Ilias Tagkopoulos, University of California, Davis;
 

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

Lijun Liu, University of Illinois at Urbana-Champaign;
 

ArcticDEM Production

Paul Morin, University of Minnesota;
 

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

Vincenzo Carnevale, Temple University;
 

Massively-parallel Electronic Structure Calculations for Energy Applications

Sohrab Ismail-Beigi, Yale University;
 

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

Ivan Soltesz, Stanford University;
 

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

Tiziana Di Matteo, Carnegie Mellon University;
 

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

Alexander Tchekhovskoy, University of California, Berkeley;
 

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;
 

High Energy Physics on Blue Waters

Paul Mackenzie, Fermi National Accelerator Laboratory;
 

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

Vadim Roytershteyn, Space Science Institute;
 

Understanding the development and evolution of violent tornadoes in supercell thunderstorms

Leigh G. Orf, University of Wisconsin-Madison;
 

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

Ashok Srinivasan, Florida State University;
 

Understanding the development and evolution of violent tornadoes in supercell thunderstorms

Thomas Quinn, University of Washington;
 

The free energy landscapes governing the function of complex biomolecular machines

Benoit Roux, University of Chicago;
 

Advanced Space Weather Modeling

Gabor Toth, University of Michigan;
 

Advanced Nanoelectronic Device Design with Atomistic Simulations

Gerhard Klimeck, Purdue University;
 

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

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

DNS of Pressure Fluctuations Induced by Supersonic Turbulent Boundary Layers

Lian Duan, Missouri University of Science and Technology;
 

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;
 

Mapping Proton Quark Structure using Petabytes of COMPASS data

Caroline Riedl, University of Illinois at Urbana-Champaign;
 

3-D Stellar Hydrodynamics Simulations for Convective-Reactive Nucleosynthesis

Paul R. Woodward, University of Minnesota
 

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;
 

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;
 

Simulating Faintest Galaxies in the JWST Era

Nickolay Gnedin, University of Chicago;
 

High Resolution Earth System Modeling for International Climate Assessment

Ryan Sriver, University of Illinois at Urbana-Champaign
 

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

Eric Lentz, University of Tennessee, Knoxville
 

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

Thomas Jordan, University of Southern California;
 

Continuation of Petascale Simulation of HED Plasmas

Warren Mori, University of California, Los Angeles;
 

Petascale integrative approaches to protein structure prediction

Ken Dill, SUNY at Stony Brook;
 

GLCPC

Policy Responses to Climate Change in a Dynamic Stochastic Economy

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

Tilted Disks Around Black Holes: Elucidating the Alignment Mechanism

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

Dispersion of fully resolved liquid droplets in isotropic turbulent flow

Said Elghobashi, University of California, Irvine;
 

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

Claude-Andre Faucher-Giguere, Northwestern University;
 

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
 

Numerical Simulations of Collapsing Cavitation Bubbles

Eric Johnsen, University of Michigan;
 

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
 

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
 

Illinois

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;
 

PARALLEL ALGORITHMS FOR SOLVING LARGE ASSIGNMENT PROBLEMS

Rakesh Nagi, University of Illinois at Urbana-Champaign;
 

Enabling Discoveries at the Large Hadron Collider through Advanced Computation

Mark Neubauer, University of Illinois at Urbana-Champaign;
 

Quantum-Classical Path Integral Simulation of Charge Transfer Reactions

Nancy Makri, 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;
 

Distributed Learning with Neural Networks

Justin Sirignano, University of Illinois at Urbana-Champaign;
 

In Silico Hepatitis C Vaccine Design

Andrew Ferguson, 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;
 

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

Chi-Hing Cheng, 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;
 

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;
 

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;
 

Large Scale Solution of Constrained Systems via Monolithic Multigrid

Luke Olson, 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;
 

Controlled Patterning of Multilayer Graphene by Hydrogen-Plasma Treatment

Huck Beng Chew, University of Illinois at Urbana-Champaign;
 

Enabling Redistricting Reform: A Computational Study of Zoning Optimization

Wendy Cho, 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;
 

Whole cell simulations of Escherichia coli and Saccharomyces cerevisiae

Zaida Luthey-Schulten, 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;
 

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;
 

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;
 

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;
 

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

Andre Schleife, 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;
 

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
 

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
 

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

Epigenetic Regulation of Chromatin Structure and Dynamics

Aleksei Aksimentiev, 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;
 

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;
 

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

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;
 

Investigation of Novel Crystal Phases and Electronic Topologies in Semiconductor Nanostructures

Prashant Jain, 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
 

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
 

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

Jean-Pierre Leburton, 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
 

Industry

Computational Drug Discovery on Blue Waters with FEP+ software

Maria Argiriadi, AbbVie
 

HDF5 performance benchmark testing

Larry Knox, The HDF Group
 

Education

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;
 

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;
 

Improving Global Optimisation Search Schemes for Quantum Chemical Simulations

Michael Groves, California State University-Fullerton;
 

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

Guillermo Araya, University of Puerto Rico, Mayaguez;
 

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

Zulfiquar Reza, University of Oklahoma;
 

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;
 

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

Arif Masud, University of Illinois at Urbana-Champaign;
 

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;
 

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

Stephen Harnish, Bluffton University
 

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

Robert Panoff, Shodor Education Foundation, Inc.
 

ACS PHYS graduate student award in theoretical chemistry

Anastassia Alexandrova, University of California, Los Angeles
 

Graduate Fellows

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

Larissa Reames, the University of Oklahoma
 

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
 

Modeling the Ocean Energetics Through Horizontal Convection

Varvara E Zemskova, University of North Carolina at Chapel Hill
 

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

Sherwood Richers, California Institute of Technology
 

Multiscale simulations of complex fluid rheology

Michael Howard, Princeton University
 

The Effect of Cosmic Rays on Galactic Magnetic Field Evolution

Iryna Butsky, University of Washington
 

High Fidelity Blade-Resolved Wind Farm Simulations

Andrew Kirby, University of Wyoming
 

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

Justin Drake, The University of Texas Medical Branch
 

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

Sean Seyler, Arizona State University
 

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
 

High Accuracy 3D Radiative Transfer in Cloudy Atmospheres

Alexandra Louise Jones, University of Illinois at Urbana-Champaign
 

The Impacts of Hydrometeor Centrifuging on Tornado Dynamics

Ronald Stenz, University of North Dakota
 

Quantifying Defect Tolerance in Semiconductors

Steven Gordon, Ohio Supercomputer Center
 

Multiscale investigation of self-assembling π-conjugated peptides

Steven Gordon, Ohio Supercomputer Center
 

Exoplanet Discovery in the Kepler and K2 Missions

Steven Gordon, Ohio Supercomputer Center
 

Comprehensive Computational Models of Polymeric Nanoparticles for Drug Delivery

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
 

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
 

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

Elizabeth Agee, University of Michigan
 

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
 

Studying the Influence of Dynamic Instabilities on Terrestrial Planetary Formation

Steven Gordon, Ohio Supercomputer Center
 

Blue Waters Professor

Andre Schleife, University of Illinois at Urbana-Champaign

Sharon Hammes-Schiffer, University of Illinois at Urbana-Champaign

Daniel Bodony, University of Illinois at Urbana-Champaign

So Hirata, 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

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

Network and Data Movement Testing with ESnet, NERSC and LBNL

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

Improving NWCHEM scalability using Dataspaces framework

Gregory Bauer, University of Illinois at Urbana-Champaign;
 

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

Indranil Gupta, 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