Leadership Resource Allocation

LRAC Awardees

The National Science Foundation approved allocations of supercomputing time on Frontera to 49 science projects for 2020-2021. Time on Frontera is awarded based on a project's need for very large scale computing to make science and engineering discoveries, and the ability to efficiently use a supercomputer on the scale of Frontera. The projects awarded allocations on Frontera will utilize a total of 54 million node hours and constitute approximately 65% of the total time on the system being allocated for this year.

Principal Investigator Organization Title
Aleksei Aksimentiev University of Illinois Structural and Mechanical Analysis of Biological Condensates Using a Computational Microscope
Narayana Aluru University of Illinois Fundamental Studies in Nanomechanics: Optofluidics and Molecular Electronics
Ganesh Balasubramanian Lehigh University Coarse-grained Molecular Dynamics Simulations of Bulk Heterojunction Organic Solar Cells
Daniel Bodony University of Illinois Direct Numerical Simulation of Mach 6 Flow Over A 35 Degree Compression Ramp
Alyson Brooks Rutgers University Simulated Inside and Out: the Milky Way Galaxy at Unprecedented Resolution
Manuela Campanelli Rochester Institute of Technology Supermassive Black Hole Approaching Merger: Accretion Dynamics, Jets and Electromagnetic Signals
Carl Carlson William & Mary Research in Theoretical Hadronic Physics and Related Topics
Ping Chang Texas A&M University Understanding and Predicting Climate Extremes Using a Global High-Resolution Earth System Model
Thomas Cheatham University of Utah Simulation and experiment to optimize force fields for accurate atomistic modeling of RNA
Cheng-Chien Chen University of Alabama at Birmingham Emergent Phenomena and Ultrafast Dynamics of Nonequilibrium Correlated Systems
Carleton DeTar University of Utah Precision Flavor Physics at the Intensity Frontier
Ken Dill Laufer Center, Stony Brook University Petascale Integrative Approaches for de novo Protein Structure Prediction
Tiziana DiMatteo Carnegie Mellon University Super-resolution cosmological simulations of galaxies and black holes
Diego Donzis Texas A&M University Fundamental studies of compressible turbulence and turbulent mixing
Emilio Gallicchio City University of New York Large-Scale Computational Screening on Leadership Resources to Assess the Estrogenic Potential of Environmental Chemicals
Philipp Grete Michigan State University The role of low collisionality in compressible, magnetized turbulence
Philip Hopkins California Institute of Technology Testing Fundamentally New Physics in Galaxies
Fazle Hussain Texas Tech University Direct numerical simulation and analysis of turbulent pipe flow at high Reynolds numbers
Olexandr Isayev Carnegie Mellon University Development of accurate, transferable and extensible deep neural network potentials for molecules and reactions
Peter Kasson University of Virginia How membrane properties control enveloped viral entry
Fatemeh Khalili University of Illinois at Chicago Molecular architecture of paracellular ion transport barriers
Bamin Khomami University of Tennessee, Knoxville Configurational microphase separation in entangled polymers in elongational flow
Matthew Kunz Princeton University Multi-scale Dynamics of Kinetic Turbulence and Dynamo in Collisionless Astrophysical Plasmas
Eric Lentz University of Tennessee, Knoxville The Final Minutes of a Massive Star
Deborah Levin University of Illinois at Urbana-Champaign Formulation of a general collisional-radiative model to study nonequilibrium flows
Lijun Liu University of Illinois at Urbana-Champaign Simulating realistic subduction and lithosphere deformation
Peng Liu University of Pittsburgh Computational Studies of Transition Metal-Catalyzed Reactions
Steven Louie University of California, Berkeley First-principles Study of Interactions and Topological Effects in Condensed Matter Systems
Carlos Lousto Rochester Institute of Technology Binary black hole simulations with eccentricity for LIGO observations
Colin Morningstar Carnegie Mellon University Hadron-hadron scattering from lattice QCD
Michael Norman University of California, San Diego First Applications of Enzo-E to Frontier Problems in Cosmology
Leigh Orf University of Wisconsin Simulations of damage-producing supercell thunderstorms at very high resolution
Alexander Philippov Simons Foundation, Flatiron Institute Investigating electormagnetic precursors to neutron star merger gravitational wave events
Nikolai Pogorelov University of Alabama, Huntsville Multi-scale, MHD-kinetic modeling of the solar wind and its interaction with the local interstellar medium
Caroline Riedl University of Illinois Unraveling Hadron Mass and Quark Structure with COMPASS and COMPASS++/AMBER
Benoit Roux University of Chicago QM/MM studies of ibrutinib covalent kinase inhibitor
Ivan Soltesz Stanford University Data-driven, biologically constrained biophysical computational model of the hippocampal network at full scale
Alexander Tchekhovskoy Northwestern University Multi-scale Modeling of Accretion and Jets in Active Galactic Nuclei
Jason TenBarge Princeton University Heating and Particle Energization in Quasi-Perpendicular Shocks
Gabor Toth University of Michigan PRE-EVENTS Multiscale Space Weather Modeling
David Vanderbilt Rutgers University DMREF: Spectral function database of correlated materials from first principles
Igor Vorobyov University of California, Davis Enhanced sampling atomistic simulations for predictive multi-scale modeling safety pharmacology pipeline
Gregory Voth University of Chicago Multiscale Simulation and Modelling of Biomolecular Phenomena on Frontera
Shan Wang University of Maryland Kinetic characterization of 3D magnetic reconnection
Chandi Witharana University of Connecticut Harnessing big satellite imagery, deep learning, and high-performance computing resources to map pan-Arctic permafrost thaw
Paul Woodward University of Minnesota 3-D Stellar Hydrodynamics of Convective Boundary Mixing and Shell Mergers in Massive Stars
Pui-kuen Yeung Georgia Institute of Technology A high-resolution study of intermittency in turbulent mixing using multiple independent simulations
Darrin York Rutgers University Advancing Predictive Capability of High-throughput Methods for Drug Discovery

View Project Abstracts (239 KB PDF)