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.

2023 Awardees

Title Principal Investigator Organization
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

2023 Awardee Abstracts
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