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 Aksimentiev | University of Illinois | Multi-Resolution Simulations of Mesoscale Biological Systems |
| Narayana Aluru | University of Illinois at Urbana-Champaign | Fundamental Studies in Nanomechanics: Optofluidics and Molecular Electronics |
| Sourabh Vasant Apte | Oregon State University | Direct Numerical Simulations of Transport in Turbulent Boundary Layers over Sediment Bed |
| Simeon Bird | University of California-Riverside | Cosmological Constraints from the Lyman-alpha Forest with Baryonic Modelling |
| George Biros | University of Texas at Austin | Machine 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)