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.
2024 Awardees
| Title | Principal Investigator | Organization |
| Fundamental and Applied Studies of Turbulent Flow Phenomena in the Environment | Marco Giometto | Columbia University |
| Structure and Dynamics of Highly Turbulent Premixed Combustion | Peter Hamlington | University of Colorado Boulder |
| Quantifying Fragmentation of Shear-Thinning Retardant Plumes using VOF-based Direct Numerical Simulations: Insights into the physics of aerial retardant drop on wildfires | Som Dutta | Utah State University |
| Predictive Excited-State Calculations for Solids using Many Body Perturbation Theory Based and Optimally Tuned Range Separated Hybrid Functionals | Jeffrey Neaton | University of California Berkeley |
| Topographic control of the geodynamo | Michael Calkins | University of Colorado Boulder |
| Investigating liquid-liquid phase separation in nucleic acids and FUS, water mediated interaction between Glycans and effect of cell size polydispersity on embryonic tissue viscosity, using Molecular Dynamics simulations | Devarajan Thirumalai | University of Texas at Austin |
| Ab initio nuclear structure and reactions for light to medium-mass nuclei | Kristina Launey | Louisiana State University |
| Exploring Nuclear Quantum Entanglement and Reactions via Ab Initio Calculations | Alexis Mercenne | Louisiana State University |
| Nuclear reactions modeling for the FRIB era | Grigor Sargsyan | Michigan State University |
2023 Awardees
| Title | Principal Investigator | Organization |
| AI-Guided Minibinder Design | David Baker | University of Washington |
| Exploring the Impact of Ionization and Cosmic-Ray Feedback on Star Formation | Stella Offner | University of Texas at Austin |
| Kinetic simulations of collisionless shocks: large scale shocks evolution and particle acceleration | Anatoly Spitkovsky | Princeton University |
| Unraveling Solar Wind Variations in the Last Solar Cycle Using Global MHD Simulations | Zhenguang Huang | University of Michigan |
| Investigate large earthquake activities along the Southern San Andreas fault and potential triggering effects using earthquake cycle simulations | Zhen Liu | Jet Propulsion Laboratory |
| Discrete Element Modeling of Shear Zones and Fault Rupture Hazards | Fernando Garcia | University of Michigan |
| Lightweight Communication Library at Scale | Marc Snir | University of Illinois Urbana-Champaign |
| Atomistic Simulations of Aromatic Motif Structure and Filtration Relationships of Polyamide Barrier Layers in Reverse Osmosis Membranes | Benjamin Hsiao | Stony Brook University |
| Wall-Modeled Large Eddy Simulations of Reacting Flows and Droplet Aero-breakup in Hypersonic Flow | Christoph Brehm | University of Maryland College Park |
| Reproducible preprocessing of open neuroimaging data | Russell Poldrack | Stanford University |
| Prediction of functional defect properties in materials for clean energy applications | Bilge Yildiz | Massachusetts Institute of Technology |
| First-principles Study on Strongly Correlated and Energy Storage Materials | Xin Li | Harvard University |
| First-Principles Studies of Excited-State Phenomena in Quasi-Two-Dimensional Materials | Felipe Jornada | Stanford University |
| Optimization of Plasma Chemistry Modeling for Etching Processes of Semiconductor Devices via Deep Learning | Roberto Longo Pazos | Tokyo Electron Limited USA |
| Coupling between phonons and correlated electronic excitations from first-principles GW-based approaches | Zhenglu Li | University of Southern California |
| Ab initio computation of rare-earth doped semiconductor and oxide materials for quantum information science | Durga Paudyal | US Department of Energy Ames Laboratory |
| Quantifying seismic hazard from full and partial margin megathrust earthquakes in the Pacific Northwest using 3D ground motion simulations | Audrey Dunham | University of Washington |
| R-Matrix with Time Dependence Calculations for Ultrafast Atomic Processes in Strong Laser Fields | Kathryn Hamilton | University of Colorado Denver |
| First-principles study of many-body interactions and excited-state properties in two-dimensional | Diana Qiu | Yale University |
| Numerical Relativity simulations for strong-field tests of gravity | Helvi Witek | University of Illinois Urbana-Champaign |
| PIC Simulations of Relativistic Jets with Toroidal Magnetic Fields | Athina Meli | North Carolina Agricultural and Technical State University |
| Simulating the common envelope phase of binary stars up to termination | Eric Blackman | University of Rochester |
| The Dust Between Us and the Big Bang | David Collins | Florida State University |
| The Role of Land Surface Variability and Change in Modulating the Variability and Predictability of Precipitation Extremes | James Kinter | George Mason University |
| Simulation Study of the Interactions between Iron Oxide Nanoparticle and Metal-reducing Proteins | Tao Wei | University of South Carolina |
| Plasma assisted igntion of hydrocarbon mixtures in turbulent flows | Fabrizio Bisetti | University of Texas at Austin |
| Full-field Temperature Recovery during Water Quenching Processes via Physics-informed Machine Learning | Jinhui Yan | University of Illinois Urbana-Champaign |
| Computational Design of Hydrogen-Resistant Metal Alloys | Konstantin Klyukin | Auburn University |
| Simulating Materials Microstructure Evolution with Convolutional and Graph Neural Networks | Ming Tang | Rice University |
| 2D UWBG / quantum heterostructures for RF and power electronics | Efthimios Kaxiras | Harvard University |
| Model-constrained deep learning methods for large-scale complex science and engineering problems | Tan Bui | University of Texas at Austin |
| High Fidelity Hurricane Storm Surge and Ocean Modeling | Jennifer Proft | Oden Institute, UT Austin |
| Simulating slab-plume interaction with realistic mantle convection models Dave Stegman | University of California San Diego | |
| Multiscale physics for next generation earthquake simulations | Alice Gabriel | University of California San Diego |
| Integrating the effect of equilibrium and meta-stable phase transitions in subduction dynamics simulations | Magali Billen | University of California Davis |
| Exploration of the Energy Landscape of Nisin-Membrane Interaction | Ulrich Hansmann | University of Oklahoma |
| Molecular dynamics of the human papillomavirus type 16 capsid to identify novel drug targets | Jodi Hadden-Perilla | University of Delaware |
| High Precision for Gravitational-Wave Physics | Zvi Bern | University of California Los Angeles |
| Alfven wave parametric decay | Feiyu Li | New Mexico Consortium |
| Particle heating and acceleration in relativistic plasma turbulence | Vadim Roytershteyn | Space Science Institute |
| Pion Polarizability and Lattice QCD | Walter Wilcox | Baylor University |
| Spring Land Surface and Subsurface Temperature Anomalies and Subsequent Downstream Late Spring-Summer Droughts/Floods in North America and East Asia | Yongkang Xue | University of California Los Angeles |
| DFT- and ML-Based Mechanistic Analysis of the Roles of Novel Base Metal Complexes in Stereoselective Catalytic Transformations | Oleg Larionov | University of Texas at San Antonio |
| Correlated Effect in Twisted Materials | Allan MacDonald | University of Texas at Austin |
| The Earth's Global Magnetic Reconnection Configuration and Cusp Ion Signatures | Brandon Burkholder | University of Maryland Baltimore County |
| Unveiling the mechanism of alpha-synuclein aggregation and prevention with small molecules using molecular dynamics | Surl Hee Ahn | University of California Davis |
| Advancing Predictive Capability of High-throughput Methods for Drug Discovery | Darrin York | Rutgers University |
| Simulations of Meteor Plasma Turbulence 2023-2024 | Meers Oppenheim | Boston University |
| Advanced Signal Processing and Machine Learning to Detect RNA Tails on DNA using 2D Nanopore Sensor | Jean-Pierre Leburton | University of Illinois Urbana-Champaign |
| Numerical simulations of Rayleigh-Bénard sheared convection, and of turbulent convection in stars of spectral types from A to F | Michael Montgomery | University of Texas at Austin |
| Spectral function database for quantum materials using first principles calculations | David Vanderbilt | Rutgers University |
| Nanocomposite Sensors Research | Eric Fahrenthold | University of Texas at Austin |
| Computational Infrastructure for Geodynamics - Community Code Scaling | Lorraine Hwang | University of California Davis |
| The role of flocculation in building land in river deltas — Theory of microscale processes and its impact on macroscale modeling at the Mississippi Delta | Michael Lamb | California Institute of Technology |
| Merging Magnetized Neutron Stars with Neutrino Transport | Steven Liebling | Long Island University |
| Sputtering of Graphitic Structures for Lifetime Estimates of Space Propulsion System | Huck Beng Chew | University of Illinois Urbana-Champaign |
| SwitchIT: Pushing the Limits of computational Rovibrational Molecular Spectroscopy Simultaneously with Respect to System Size, Convergence Accuracy, and Number of Computed States | Bill Poirier | Texas Tech University |
| Systematic Predictions for Dynamical Signatures of New Dark Matter Physics in Galaxies | Lina Necib | Massachusetts Institute of Technology |
| Elucidation of molecular mechanisms of beta-1 adrenergic receptor biased signaling via all-atom molecular dynamics simulations | Igor Vorobyov | University of California Davis |
| Swirl-stabilized hydrogen combustion numerical simulation | Paul Palies | University of Tennessee Knoxville |
| A Systematic Study of How AGN Feedback Regulates the Black Hole Accretion in Early Protogalaxies | Kung-Yi Su | Harvard University |
| Screening proto-drugs against novel therapeutic targets for cancer | Bruce Beutler | University of Texas Southwestern Medical Center |
| Subseasonal to Interannual Prediction Experiments with the Unified Forecast System (UFS) | Benjamin Cash | George Mason University |
| Investigate Atomistic Mechanism of Phase Transition and Plasticity in Silicon Nanostructures | Wei Gao | Texas A&M University |
| Improving beam quality in laser wakefield acceleration | Lance Labun | University of Texas at Austin |
| Reduced models for stellarator turbulence | Gabriele Merlo | University of Texas at Austin |
| Continent-scale In SAR velocity fields for volcanology and tectonics | Falk Amelung | University of Miami |
| Using multiscale mantle convection modeling to understand the physics of plate boundary evolution and tectonic surface deformation | Thorsten Becker | University of Texas at Austin |
| Multi-scale Analysis of Congo Basin Precipitation: Understanding the Regional Rainfall Climatology and the Potential for Change | Kerry Cook | University of Texas at Austin |
| Interfacial turbulence modeling in environmental flows | Marcelo Garcia | University of Illinois Urbana-Champaign |
| Advanced simulations of train derailments to assess the tank cars conditional probability of release | Paolo Gardoni | University of Illinois Urbana-Champaign |
| High-performance computational approach to improve cardiac interventional predictability | Vijay Govindarajan | University of Texas Health Science Center at Houston |
| Structure and Dynamics of Highly Turbulent Premixed Combustion | Peter Hamlington | University of Colorado Boulder |
| Research and development of methods for many-body electronic structure theory and applications in FHI-aims | Uthpala Herath | Duke University |
| Flow-induced configurational microphase separation and crystallization in polydisperse entangled polyethylene under planar elongational flow | Bamin Khomami | University of Tennessee Knoxville |
| Ab initio nuclear structure and reactions for light to medium-mass nuclei | Kristina Launey | Louisiana State University |
| Magnetic Reconnection Localized in the Dawn-Dusk Direction of Earth's Magnetotail | YiHsin Liu | Dartmouth College |
| An accelerated path to a Negative Triangularity tokamak reactor using first principle models | Alessandro Marinoni | Massachusetts Institute of Technology |
| Exploring Entanglement in Ab Initio Calculations of Atomic Nuclei | Alexis Mercenne | Louisiana State University |
| Predictive Excited-State Calculations for Solidsusing Many Body Perturbation Theory Based and Optimally Tuned Range Separated Hybrid Functionals | Jeffrey Neaton | University of California Berkeley |
| Studies of Circumbinary Accretionon to Supermassive Black Hole Binaries in Full General Relativity | Vasileios Paschalidis | University of Arizona |
| Therapeutic Peptides Design for COVID-19 Treatment Using High-Performance Computing at TACC | Baofu Qiao | City University of New York |
| Calculation of electron collisions with molecular targets using the convergent close-coupling method | Barry Schneider | National Institute of Standards and Technology |
| Studies In Theoretical Astrophysics and General Relativity | Stuart L. Shapiro | University of Illinois Urbana-Champaign |
| BioPathways: Computational studies of novel microbial membrane exporter proteins | Hedieh Torabifard | University of Texas at Dallas |
| Seamless coupled hydrologic-hydrodynamic simulations using a next-generation community model | Joseph Zhang | Virginia Institute of Marine Science |
View/Download PDF Versions of LSCP and Pathways Awardee Project Abstracts
2024 Awardee Abstracts
February 2024
2023 Awardee Abstracts
December 2023 | August 2023 | May 2023 | February 2023
2022 Awardee Abstracts
November 2022 | August 2022 | May 2022 | February 2022
2021 Awardee Abstracts
November 2021 | August 2021 | May 2021 | April 2021 | January 2021
2020 Awardee Abstracts
October 2020 | July 2020 | April 2020