People

Danial Ahmed

JP Stevens

Programs

CAREERS

Skills

community-outreach molecular-dynamics matlab

Daniel Benedict

Texas Tech University

Programs

CCMNet

Skills

Trey Breckenridge

Mississippi State University

Programs

Campus Champions

Skills

Thomas Cheatham

University of Utah

Professor / Director

Programs

Campus Champions

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

Jeff Falgout

US Geological Survey

Programs

Campus Champions

Skills

Matt Ferguson

Boise State University

Associate Professor of Physics

Programs

At-Large

Skills

Charles Forsyth

University of California-Riverside

Programs

Campus Champions

Skills

Brian Haymore

University of Utah

HPC Team Manager

Programs

Campus Champions, CCMNet

Skills

file-systems bash batch-jobs scheduling terminal-emulation-and-window-management cgroups s3 ceph cluster-support file-transfer samba putty sftp smb ssh x11 hardware gpu hpc-cluster-build networking dtn firewall tcp schedulers slurm acls cifs lustre nfs hpc-operations backup permissions provisioning unix-environment sciencedmz storage community-outreach scripting environment-modules software-installation compiling os hpc-storage cloud-storage training file-system file-limit quota open-ondemand xdmod administering-hpc cluster cluster-management condo configuration-automation deployment ethernet hpc-arch-and-perf hpc-cluster-architecture infiniband interconnect nvidia screen tmux vim modules mentorship professional-development workforce-development c perl job-submission job-failure job-charging job-accounting core-hours pending-jobs pre-emption process-killed resources cmmc cui cybersecurity duo data-security secure-data-architecture lmod containers singularity centos

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 Hawaii, Manoa

Programs

ACCESS CSSN

Skills

Ruben Lara

Georgia Institute of Technology

Programs

Campus Champions

Skills

Lenore Martin

University of Rhoide Island

Tenured Associate Professor

Programs

CAREERS

Skills

Abdullah Al Maruf

Programs

CCMNet

Skills

Kali McLennan

University of Oklahoma

Programs

Campus Champions, Great Plains

Skills

Aya Nawano

Yale University

Programs

CAREERS, ACCESS CSSN, OnDemand

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

ACCESS CSSN

Skills

computational-chemistry gaussian molecular-dynamics quantum-mechanics training

People

Skills

Skills

Organization

Program