Pathways Allocation

Pathways Awardees


The National Science Foundation approved allocations of supercomputing time on Frontera to the following Pathway projects, each running for a year. Pathways allocations are designed to provide compute time to science teams with a strong scientific justification for access to a leadership-class computing resource. Successful applicants will use the allocation award to work with the Frontera team to scale their codes in order to effectively use the system.

2021 Awardees

Principal Investigator Organization Title Allocation Date
Rommie Amaro University of California, San Diego Understanding the partitioning of surface-active material in aged marine aerosols May 2021
David Baker University of Washington Mini-Protein Binder Frontera Pathways Application August 2021
Aditya Balu Iowa State University (ISU) Large Scale Immersed Multiphysics Simulations August 2021
Fabrizio Bisetti University of Texas at AustinDeformation of Reactive Surfaces in Stirred Turbulence August 2021
Michael Boylan-Kolchin University of Texas at Austin Forming Globular Clusters in Fully Cosmological Simulations of Galaxy Formation January 2021
Keith Brewster University of Oklahoma Real-time High Resolution Ensemble Numerical Weather Forecasts Using FV3-LAM for NOAA Testbeds - Ramping Toward Exascale May 2021
Jason Dexter University of Colorado Misaligned Accretion Disk Simulations for Interpreting Event Horizon Telescope Black Hole Images and Movies January 2021
Horacio Espinosa Northwestern University A Numerical Investigation of Fracture in Transitional Metal Dichalcogenides January 2021
Michael Falk Johns Hopkins University Predicting orientation-dependent plastic events in amorphous solids via deep learning April 2021
Xiangrong Fu New Mexico Consortium Parametric Instabilities of Alfven Waves April 2021
Oleg Gnedin University of Michigan Formation and Evolution of the Local Group of Galaxies April 2021
Jonathan Grossman Rice University Future Application, Programming Model, and Runtime Research for OpenSHMEM January 2021
Fan Guo Los Alamos National Laboratory Plasma Dynamics and Particle Acceleration in 3D Relativistic Magnetic Reconnection January 2021
Kathryn Hamilton Drake University R-Matrix with Time Dependence Calculations for Ultrafast Atomic Processes in Strong Laser Fields August 2021
Peter Hamlington University of Colorado Structure and Dynamics of Highly Turbulent Premixed Combustion April 2021
Ulrich Hansmann University of Oklahoma Exploration of Energy Landscapes of Protein Folding and Amyloid Formation January 2021
Thomas Helfer Johns Hopkins UniversityShedding light on light dark matter candidates in strong gravity environments August 2021
Graeme Henkelman University of Texas at Austin Modeling Materials for Energy Conversion and Storage over Experimental Timescales April 2021
Lorraine Hwang Computational Infrastructure for Geodynamics, UC Davis Computational Infrastructure for Geodynamics - Community Code Scaling April 2021
Eric Jonas University of Chicago Structure elucidation of novel molecular substances via machine learning and nuclear magnetic resonance spectroscopy April 2021
Brian Kelch University of Massachusetts Medical School (UMMS) Mechanisms of the Sliding Clamp Loader Complex August 2021
Bamin Khomami University of Tennessee Knoxville (UT Knoxville) Flow-induced configurational microphase separation and crystallization in entangled polymers in elongational flow August 2021
Boris Kozinsky Harvard University Advanced machine learning force field development for heterogeneous catalysis January 2021
Brian La Cour The University of Texas at Austin Pushing the Boundaries of Quantum Circuit Simulation August 2021
Oleg Larionov University of Texas at San Antonio Development of Mechanistic Models of New Photocatalytic Systems with Predictive Capabilities for Efficient Organic Photocatalysis April 2021
Sanjiva Lele Stanfod University Compressibility Effects in Turbulence Flows of nonideal Fluids August 2021
Xin Li Harvard University First-principles Study on Strongly Correlated and Energy Storage Materials August 2021
Jing Li University of Mississippi Elucidating Structural Roles of Cardiac Disease-associated Mutations in Voltage-gated Sodium Channel Nav1.5 April 2021
Yue Ling Baylor University Direct numerical simulation of the atomization of a planar liquid jet assisted by co-flowing turbulent gas streams January 2021
Yuanyue Liu University of Texas at Austin First-Principles Simulations of Electrocatalytic Kinetics of Single Metal Atom in Nitrogen Doped Graphene August 2021
Keh-Fei Liu University of Kentucky Neutron Electric Dipole Moment from Lattice QCD August 2021
Matthias Maier Texas A&M University ryujin - towards robust and efficient computation of supersonic hyperbolic flow at large and small scales April 2021
Caroline Morley University of Texas at Austin Towards Robust Atmospheric Retrievals for Cloudy L Dwarfs: Tests on T Dwarf Spectra April 2021
Kenichi Nishikawa Alabama A&M University Computational Study of Astrophysical Plasmas August 2021
Russell Poldrack Stanford University Reproducible preprocessing of open neuroimaging data August 2021
Diana Qiu Yale UniversityFirst-principles study of many-body interactions and excited-state properties in two-dimensional systems August 2021
Helen Reed Texas A&M University Boundary-Layer Stability and Control for Hypersonic Problems May 2021
Pengyu Ren University of Texas at Austin Study of ligand binding to proteins and nucleic acids by polarizable molecular dynamics simulations January 2021
Jose Rizo-Rey University of Texas Southwestern Medical Center Mechanism of Ca2+-evoked synaptic vesicle fusion August 2021
Richard Schaeffer University of Texas Southwestern Medical CenterLarge-scale structure prediction and classification of virulence factors in marine pathogens August 2021
Barry Schneider National Institute of Standards and Technology Calculation of Electron Collisions with Molecular Targets using the Convergent Close-Coupling Method January 2021
Stuart Shapiro University of Illinois at Urbana-Champaign Studies In Theoretical Astrophysics and General Relativity April 2021
Devarajan Thirumalai University of Texas at Austin Computational and Theoretical Studies on DNA Folding, Eukaryotic Chromosomes, and Glassy Materials January 2021
Eirik Valseth University of Texas at AustinHigh Fidelity Hurricane Storm Surge and Ocean Modeling August 2021
Igor Vorobyov University of California, Davis Enhanced sampling molecular dynamics simulations for a multi-scale personalized safety medicine pipeline April 2021
Yingchen Yang University of Texas Rio Grande Valley Large Eddy Simulation for Novel Wave Energy Converter August 2021
Bilge Yildiz Massachusetts Institute of Technology Prediction of functional defect properties in materials for clean energy and brain-inspired information processing January 2021
Joseph Zhang College of William and Mary Seamless coupled hydrologic-hydrodynamic simulations using a next-generation community model April 2021

2020 Awardees

Principal Investigator Organization Title Allocation Date
Falk Amelung University of Miami Continent-scale InSAR velocity fields for volcanology and tectonics October 2020
David Baker University of Washington Mini-Protein Binder Design April 2020
Jaehan Bae Carnegie Institution of Washington Planet-disk interaction in three dimensions July 2020
Scott Baker UNAVCO Corporation Cyberinfrastructure for GeoSciFramework and Big Data Innovation July 2020
David Benkeser Emory University Using Frontera GPU computing to accelerate developments in interpretable machine learning October 2020
Amneet Pal Bhalla San Diego State University Development of multiphase fluid-structure interaction methods October 2020
Keith Brewster University of Oklahoma Real-time High Resolution Ensemble Numerical Weather Forecasts Using SAR-FV3 for the Hydrometeorology Testbed - Ramping toward Exascale October 2020
Nipavan Chiamvimonvat University of California, Davis Regulation of cardiac small-conductance calcium-activated potassium channel October 2020
Matthew Clement Carnegie Institution of Washington Investigating the Final Assembly of the Inner Solar System with GPU Acceleration April 2020
Jonathan Grossman Rice University Future Application, Programming Model, and Runtime Research for OpenSHMEM Deborah Levin University of Illinois Numerical simulations of plasma based flowsusing heterogeneous computational strategies. April 2020
Michael Grudic Northwestern University Exploring the Physical Ingredients of Star Formation with Simulations Alexei Kritsuk University of California, San Diego Numerical Simulations of Interstellar Turbulence April 2020
Gian Giacomo Guerreschi Intel Corporation Large-scale simulation of quantum computers with realistic noise models July 2020
Fan Guo Los Alamos National Laboratory Plasma Dynamics and Particle Acceleration in 3D Relativistic Magnetic Reconnection April 2020
Kathryn Hamilton Drake University R-Matrix with Time Dependence Calculations for Ultrafast Atomic Processes in Strong Laser Fields July 2020
Peter Hamlington University of Colorado Structure and Dynamics of Highly Turbulent Premixed Combustion Evan Ma Johns Hopkins University Predicting orientation-dependent plastic events in amorphous solids via deep learning April 2020
Ulrich Hansmann University of Oklahoma Exploration of Energy Landscapes of Protein Folding and Amyloid Formation April 2020
Lorraine Hwang Computational Infrastructure for Geodynamics, UC Davis Computational Infrastructure for Geodynamics - Community Code Scaling July 2020
Lizy John University of Texas at Austin GPU-Accelerated Computing for Solving Partial Differential Equations using Nodal Discontinuous Galerkin Methods April 2020
Boris Kozinsky Harvard University Advanced machine learning force field development for linear alkoxy dehydrogenation on Cu-based catalysts April 2020
Alexei Kritsuk University of Californias, San Diego Numerical Simulations of Interstellar Turbulence April 2020
Krishna Kumar University of Texas at Austin MPM: Towards a peta-scale simulation of landslide hazards April 2020
Kristina Launey Louisiana State University Ab initio nuclear structure and reactions for light to medium-mass nuclei July 2020
Deborah Levin University of Illinois Numerical Simulations of Plasma Based Flowsusing Heterogeneous Computational Strategies April 2020
Ju Li Massachusetts Institute of Technology Development of Universal Interatomic Potentials Based on Graph Convolutional Neural Networks and First-Principles Calculations October 2020
Ying Li University of Connecticut Multiscale Modeling of Blood Circulation and Tumor Extravasation of Nanomaterials for Targeted Drug Delivery April 2020
Evan Ma Johns Hopkins University Predicting Orientation-Dependent Plastic Events in Amorphous Solids via Deep Learning April 2020
Ivan Oleynik University of South Florida Predictive Simulations of Phase Transitions in Dynamically Compressed Silicon April 2020
Michael Pritchard University of California, Irvine Advancing understanding of aerosol-cloud feedback using the world's first global climate model with explicit boundary layer turbulence October 2020
Dong Qian University of Texas at Dallas Develop A Data-driven Approach To The Mechanics of Nanoscale Interfibrillar Interface in Collagen July 2020
Diana Qiu Yale University First-principles study of many-body interactions and excited-state properties in two-dimensional systems October 2020
Jose Rizo-Rey University of Texas Southwestern Medical Center Mechanism of Ca2+-evoked synaptic vesicle fusion July 2020
Stuart Shapiro University of Illinois at Urbana-Champaign Studies In Theoretical Astrophysics and General Relativity July 2020
Joan-Emma Shea University of California, Santa Barbara Protein Stability in Mixed Osmolyte Conditions and the Self-assembly of the Tau Protein July 2020
Ashok Srinivasan   Pedestrian Dynamics-Based Analysis of Infection Propagation Through Air Travel Matthew Clement Carnegie Institution of Washington Investigating the final assembly of the inner solar system with GPU acceleration April 2020
Rob Stoll University of Utah Understanding and Modeling the Role of Horizontal Heterogeneity on the Dynamics of the Nocturnal Boundary Layer Across Scales October 2020
Hari Sundar University of Utah Massively parallel simulations of binary black hole intermediate-mass-ratio inspirals: Computational contributions for LIGO/LISA October 2020
Tyson Swetnam University of Arizona Cyberinfrastructure hybrid for scalable machine learning and visualization using genomic and geospatial datasets October 2020
Devarajan Thirumalai University of Texas at Austin Computational and Theoretical Studies on DNA Folding, Eukaryotic Chromosomes, and Glassy Materials April 2020
Liang Xu University of Texas at San Antonio Dynamics of Aquaporin Membrane Junctions July 2020
Bilge Yildiz Massachusetts Institute of Technology Prediction of functional defect properties in materials for clean energy and brain-inspired information processing April 2020
Zhao Zhang University of Texas at Austin Fast and Accurate Deep Learning on Distributed Systems October 2020