People

Danial Ahmed

JP Stevens

Programs

CAREERS

Skills

community-outreach molecular-dynamics matlab

Sean Anderson

Wake Forest University

Programs

ACCESS CSSN, Campus Champions, CCMNet

Skills

Thomas Cheatham

University of Utah

Professor / Director

Programs

Campus Champions, RMACC

Skills

management community-outreach proposal-development workforce-development computational-chemistry molecular-dynamics gpu

Bala Desinghu

Harvard University

Rutgers University

Programs

ACCESS CSSN, Campus Champions, CAREERS, Northeast

Skills

proposal-request ai big-data data-analysis deep-learning dft image-processing machine-learning monte-carlo neural-networks parameter-sweeps plotting vectorization visualization random-numbers cloud-computing cloud-storage github globus s3 sftp data-management data-transfer data-sharing optimization parallelization scaling benchmarking bioinformatics molecular-dynamics natural-language-processing opencv tensorflow pytorch gaussian gromacs computational-chemistry data-science materials-science quantum-mechanics open-ondemand distributed-computing unix-environment batch-jobs pre-emption schedulers bash environment-modules git screen ssh vim professional-development proposal-development research-facilitation research-grants software-carpentry training anaconda c c++compiling conda fortran jupyterhub mathematica matlab programming python r rstudio-server scikit-learn putty vnc vpn containers dependencies docker pip podman singularity software-installation quantum-computing api job-array slurm sge pbs community-outreach

Yves Dubief

University of Vermont

Associate Professor

Programs

Northeast

Skills

big-data molecular-dynamics python mpi

Russell Hofmann

Internet2

Programs

ACCESS CSSN, CCMNet

Skills

data-analysis machine-learning dft scaling pytorch gromacs gaussian molecular-dynamics computational-chemistry data-science genomics research-facilitation python spark spack kubernetes training

Xiaoqin Huang

Rice University

Programs

ACCESS CSSN

Skills

ACCESS-account ACCESS-credits adding-users affinity-group allocations-extension allocations-proposal anvil bridges-2 darwin delta documentation expanse rockfish stampede2 transfer-su xdmod tickets data-analysis deep-learning dft machine-learning neural-networks openstack globus github benchmarking checkpoint debugging memory optimization parallelization performance-tuning profiling scaling scripting amber bioinformatics charmm gamess gaussian gromacs lammps molecular-dynamics namd pytorch tensorflow biology computational-chemistry data-science genomics quantum-mechanics open-ondemand cgroups condo gpu nvidia batch-jobs schedulers job-array bash git pthreads ssh proposal-development research-facilitation research-grants community-outreach anaconda c c++compiling conda cuda fortran jupyterhub mpi openmp openmpi programming python containers dependencies easybuild docker interactive-mode pip singularity software-installation

Masoud Keramati

Northeastern University

Programs

ACCESS CSSN

Skills

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

Lenore Martin

University of Rhoide Island

Tenured Associate Professor

Programs

CAREERS

Skills

Aya Nawano

Yale University

Programs

CAREERS, ACCESS CSSN

Skills

lammps molecular-dynamics materials-science

Od Odbadrakh

University of Tennessee, Knoxville

Computational Scientist

Programs

ACCESS CSSN

Skills

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

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

Jesse Sandberg

Rutgers University-Camden

Programs

CAREERS

Skills

management workforce-development project-management professional-development molecular-dynamics python

Sebastian Sensale

Cleveland State University

Programs

Campus Champions

Skills

molecular-dynamics namd amber lammps matlab python expanse bridges-2 stampede2 bash

Nannan Shan

Purdue University

Senior Computational Scientist

Programs

CCMNet, ACCESS CSSN

Skills

Swabir Silayi

George Mason University

Programs

ACCESS CSSN, CCMNet, Campus Champions

Skills

Juan Vanegas

Oregon State University

Programs

Northeast

Skills

bash batch-jobs bioinformatics compiling conda environment-modules hpc-cluster-build hpc-operations jupyterhub molecular-dynamics nfs pip python slurm ssh storage x11 mpi

Skills

Organization

Program