Leadership Resource Allocation

LRAC Awardees

The National Science Foundation approved allocations of supercomputing time on Frontera to 55 science projects for 2022-2023. 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 62 million node hours and constitute approximately 80% of the total time on the system being allocated for this year.

Principal Investigator Organization Title
Aleksei AksimentievUniversity of IllinoisMulti-Resolution Simulations of Mesoscale Biological Systems
Narayana AluruUniversity of Illinois at Urbana-ChampaignFundamental Studies in Nanomechanics: Optofluidics and Molecular Electronics
Sourabh Vasant ApteOregon State UniversityDirect Numerical Simulations of Transport in Turbulent Boundary Layers over Sediment Bed
Simeon BirdUniversity of California-RiversideCosmological Constraints from the Lyman-alpha Forest with Baryonic Modelling
George BirosUniversity of Texas at AustinMachine learning accelerated reduced models for complex fluids
Daniel Bodony University of Illinois Direct Numerical Simulation of Mach 6 Flow Over A 35 Degree Compression Ramp
Hatice Bozdag Colorado School of Mines (An)elastic global full-waveform inversion
Marc Calaf University of Utah Large-eddy simulations of solar PV arrays for higher system efficiency through enhanced convection
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 & experiment to optimize force fields for accurate atomistic modeling of RNA, proteins and computer-aided drug design
Cheng-Chien Chen University of Alabama at Birmingham Emergent Phenomena and Ultrafast Dynamics of Nonequilibrium Correlated Systems
Liao Chen University of Texas at San Antonio Large-Scale All-Atom Simulations of Neutral-Solute Transporters in Cell-Like Environments
Martha Constantinou Temple University Large-scale simulations of lattice QCD with physical up, down, strange, and charm quarks
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 Frontera and super resolution cosmological simulations of galaxies and quasars
Feliciano Giustino University of Texas at Austin Engineering electron-phonon interactions in functional materials
Philipp Grete Michigan State University The role of low collisionality in compressible, magnetized turbulence
Antoniette Greta Grima University of Texas at Austin Using multiscale convection modeling to understand the physics of plate boundary evolution and tectonic surface deformation
Michael Grudic Northwestern University STARFORGE: Simulating star formation with realistic physics and feedback
Philip Hopkins California Institute of Technology Testing Fundamentally New Physics in Galaxies
Olexandr Isayev Carnegie Mellon University Development of accurate, transferable and extensible deep neural network potentials for molecules and reactions
Frank Jenko Max Planck Institute of Plasma Physics Grid-based gyrokinetic simulations for studying confinement properties of negative triangularity tokamaks
Fatemeh Khalili University of Illinois at Chicago Molecular architecture of paracellular ion transport barriers
Alexei Kritsuk University of California, San Diego Numerical Simulations of Interstellar Turbulence
Matthew Kunz Princeton University Rotational and Convective Instability and Transport in Collisionless Astrophysical Plasmas
Kristina Launey Louisiana State University Ab initio nuclear structure and reactions for light to medium-mass nuclei
Deborah Levin University of Illinois at Urbana-Champaign Study of Linear Global Instability of Three- Dimensional Hypersonic Shock/Laminar Separation Bubble Interaction using DSMC
Lijun Liu University of Illinois Simulating realistic subduction and lithosphere deformation
Steven G. Louie University of California, Berkeley First-principles Study of Interactions and Topological Effects in Condensed Matter Systems
Carlos Lousto Rochester Institute of Technology Eccentric binary black hole simulations for LIGO observations
Alessandro Marinoni Massachusetts Institute of Technology An accelerated path to a Negative Triangularity tokamak reactor using first principle models
Mahmoud Moradi University of Arkansas Characterizing Differential Dynamic Behavior of Glycosylated Spike proteins of SARS Coronaviruses 1 and 2
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
Ivan Oleynik University of South Florida Classical Simulations of Planetary Materials with Quantum Accuracy
Leigh Orf University of Wisconsin High resolution simulations of damage-producing supercell thunderstorms
Alexander Philippov Princeton University Simulations of reconnection-powered flares in magnetospheres of magnetars, binary neutron stars and black holes.
Nikolai Pogorelov University of Alabama, Huntsville Multi-scale, MHD-kinetic modeling of the solar wind and its interaction with the local interstellar medium
Thomas Quinn University of Washington Comprehensive Constraints on Self Interacting Dark Matter
Caroline Riedl University of Illinois at Urbana-Champaign Unraveling Hadron Mass and Quark Structure with COMPASS and COMPASS++/AMBER
Benoit Roux University of Chicago QM/MM studies of ibrutinib covalent kinase inhibitor
Phiala Shanahan Massachusetts Institute of Technology Nuclear Physics from the Standard Model
Joan-Emma Shea University of California, Santa Barbara Conformational Stability of Folded Proteins and Aggregation of Disordered Proteins under Cellular Solution Conditions
Ivan Soltesz Stanford University Data-driven, biologically constrained biophysical computational model of the hippocampal network at full scale
Emad Tajkhorshid University of Illinois Investigating the Complete SARS-CoV-2 Envelope Using Atomistic Simulations
Jason TenBarge Princeton University Heating and Particle Energization in Space and Astrophysical Plasmas
Gabor Toth University of Michigan PRE-EVENTS Multiscale Space Weather Modeling
Gabor Toth University of Michigan LRAC: NextGen Space Weather Modeling Framework Using Data, Physics and Uncertainty Quantification
David Vanderbilt Rutgers University Spectral function database of correlated materials from first principles
David Vartanyan University of California, Berkeley Multi-Dimensional, Multi-Physics Resolution of Core Collapse Supernova
Yao Wang Clemson University Electron-Phonon Coupling in Correlated Quantum Materials
Shan Wang University of Maryland Kinetic characterization of 3D magnetic reconnection
Gregory Werner University of Colorado Magnetic reconnection and turbulence in extreme plasmas: jets and accretion flows of supermassive black holes
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 Extreme events and particle dynamics in high Reynolds number turbulence
Darrin York Rutgers University Advancing Predictive Capability of High-throughput Methods for Drug Discovery

View 2022 LRAC Project Abstracts (PDF)

View 2021 LRAC Project Abstracts (PDF)

View 2020 LRAC Project Abstracts (PDF)