People

Jason Key

Harvard Medical School

Programs

Campus Champions

Skills

computational-chemistry gromacs namd amber molecular-dynamics

Alexandra Lamtyugina

University of Chicago

Programs

ACCESS CSSN

Skills

Ruben Lara

Georgia Institute of Technology

Programs

Campus Champions

Skills

Rocio Lavado

University of Houston

Programs

ACCESS CSSN

Skills

computational-chemistry quantum-computing python networking

Angelo Lucia

University of Rhode Island

Programs

Skills

monte-carlo biology computational-chemistry fortran matlab

Ben Lynch

University of Minnesota

Programs

Campus Champions

Skills

ceph s3 computational-chemistry machine-learning neural-networks gpu

Jonathan Lyon

Murray State University

Assistant Professor

Programs

At-Large, Campus Champions, Kentucky, ACCESS CSSN

Skills

dft computational-chemistry gaussian quantum-mechanics fortran bash materials-science

Lenore Martin

University of Rhoide Island

Tenured Associate Professor

Programs

CAREERS

Skills

woman facing camera on a sunny day with bay in background

Alison McClellan

Stanford University

Programs

ACCESS CSSN

Skills

r python project-management research-facilitation research-grants biology computational-chemistry genomics

Mariavictoria Moreno

The University of Texas at San Antonio

Programs

ACCESS CSSN

Skills

python community-outreach abstract project-management computational-chemistry materials-science

Saritha Nellutla

Bridgewater State University

Programs

Northeast

Skills

computational-chemistry gaussian

Morgan Newton

Santa Monica College

Programs

ACCESS CSSN

Skills

file-transfer archiving backup slurm job-failure job-sizing job-submission bash permissions os ssh professional-development project-management management anaconda c c++java programming openmpi python jupyterhub

Justin Oelgoetz

Austin Peay State University

Professor

Programs

Campus Champions, CCMNet

Skills

Alexander Pacheco

Lehigh University

Programs

Skills

computational-chemistry gaussian fortran spack open-ondemand condo tmux screen openmp bash research-facilitation xsede training git anaconda batch-jobs software-installation compiling conda

Deborah Penchoff

University of Tennessee - Knoxville

Programs

Campus Champions

Skills

ai deep-learning machine-learning neural-networks reinforcement-learning supervised-learning unsupervised-learning big-data computer-graphics data-analysis dft plotting visualization data-management data-sharing github github-pages benchmarking checkpoint cpu-bound memory parallelization performance-tuning scaling fluid-dynamics gaussian molecular-dynamics openfoam pytorch tensorflow cluster cluster-management cpu-architecture distributed-computing gpu hardware hpc-cluster-architecture hpc-operations lustre networking nvidia unix-environment bash environment-modules git ssh vim vm ACCESS ACCESS-account adding-users allocation-management allocation-time allocation-users anvil bridges-2 stampede2 stampede3 abstract affiliations citation community-outreach management mentorship professional-development project-management proposal-development publication-database research-facilitation research-grants training workforce-development xsede c++fortran jupyterhub mathematica matlab mpi openmp openmpi programming python r spark batch-jobs core-hours job-accounting job-submission pbs slurm biology computational-chemistry data-science quantum-mechanics data-compliance duo vpn spack version-control profile proposal-request

Lisa Perez

Texas A&M University

Director, High Performance Research Computing

Programs

SWEETER

Skills

computational-chemistry gaussian molecular-dynamics quantum-mechanics training

Mark Perri

Sonoma State University

Programs

Campus Champions

Skills

jetstream openstack computational-chemistry gamess namd quantum-mechanics science-gateway programming python docker

Edwin Posada

Temple University

Programs

Campus Champions

Skills

Spencer Pruitt

Worcester Polytechnic Institute

Programs

Northeast

Skills

batch-jobs computational-chemistry storage debugging distributed-computing hardware hpc-operations programming python scheduling slurm hpc-storage unix-environment mpi

Sanguthevar Rajasekaran

University of Connecticut

Programs

CAREERS

Skills

Emanuela Riglioni

Other

Programs

ACCESS CSSN

Skills

data-analysis monte-carlo machine-learning pytorch computational-chemistry materials-science particle-physics bash git ssh vim community-outreach project-management python r anaconda jupyterhub compiling

Paul Rulis

University of Missouri, Kansas City

Associate Professor of Physics

Programs

Campus Champions

Skills

dft machine-learning monte-carlo neural-networks vectorization parameter-sweeps random-numbers github metadata sftp storage core-dump cpu-bound debugging memory optimization parallelization performance-tuning profiling scaling scripting tuning checkpoint lammps molecular-dynamics paraview pytorch tensorflow materials-science quantum-mechanics comet gpu unix-environment batch-jobs core-hours job-accounting job-submission job-sizing pending-jobs schedulers scheduling slurm bash environment-modules git ssh tcp vim x11 permissions modules os proposal-development project-management research-grants software-carpentry xsede c c++conda fortran java programming openmp mpi programming-best-practices python sql putty encryption vpn terminal-emulation-and-window-management library-paths spack software-installation version-control singularity ai data-analysis computational-chemistry resources abstract affiliations citation xml dependencies

People

Skills

Organization

Program