People

University of Tennessee, Knoxville

Programs

ACCESS CSSN

Skills

machine-learning supervised-learning neural-networks data-analysis dft plotting visualization c matlab computational-chemistry materials-science mechanical-engineering

Danial Ahmed

JP Stevens

Programs

CAREERS

Skills

community-outreach molecular-dynamics matlab

Torey Battelle

Arizona State University

Assistant Director Quantum Collaborative

Programs

Campus Champions, CCMNet

Skills

dft quantum-computing quantum-mechanics computational-chemistry materials-science administering-hpc slurm research-facilitation fortran openmp openmpi lmod environment-modules vim batch-jobs scheduling

Daniel Benedict

Texas Tech University

Programs

CCMNet

Skills

Christopher Blanton, Ph.D.

North Carolina State University

Programs

Campus Champions

Skills

Marcus Bond

Southeast Missouri State University

Professor

Programs

Great Plains, Campus Champions, CCMNet

Skills

dft gamess bash ssh vim mentorship professional-development proposal-development research-facilitation research-grants fortran sge computational-chemistry materials-science centos

Thomas Cheatham

University of Utah

Professor / Director

Programs

Campus Champions, RMACC

Skills

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

Yu-Chieh Chi

University of California, Santa Barbara

Programs

Campus Champions

Skills

Simon Delattre

Penn State

Artificial intelligence-Researcher

Programs

Skills

big-data data-transfer data-wrangling deep-learning materials-science neural-networks python anaconda bash conda tensorflow unix-environment machine-learning pytorch scikit-learn

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

Matt Ferguson

Boise State University

Associate Professor of Physics

Programs

At-Large

Skills

Fernando Garzon

University of California, San Diego

Programs

ACCESS CSSN

Skills

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

David Liu

Purdue University

Programs

CCMNet

Skills

ai deep-learning generative-ai machine-learning llm NAIRR-pilot neural-networks supervised-learning reinforcement-learning nlp unsupervised-learning linear-programming monte-carlo big-data aws azure cloud cloud-computing cloud-open-source cloud-storage account application-status change-organization delete-account documentation email-change email-duplication profile password login license errors proposal-request reporting tickets verification-code archiving backup data data-access-protocols data-lifecycle data-management data-management-software data-provenance data-reproducibility data-retention data-sharing data-transfer data-wrangling database doi file-formats file-system file-transfer github file-limit github-pages globus metadata quota s3 workflow weka storage sftp scratch checkpoint core-dump cpu-bound dmtcp memory profiling scaling benchmarking debugging IO-issue parallelization optimization performance-tuning tuning timing-issue xalt opencv natural-language-processing pytorch tensorflow api open-ondemand science-gateway administering-hpc cluster-management cgroups gpu DNS hpc-cluster-architecture sdn serverless-hpc provisioning nfs networking bash cleanup environment-modules screen git vim permissions modules os scripting vm x11 ssh tcp tcsh tmux ACCESS ACCESS-account ACCESS-allocations anvil FABRIC expanse open-science-grid jetstream abstract affiliations campus-champions management community-outreach citation mentorship professional-development project-management publication-database research-grants software-carpentry research-facilitation training workforce-development xsede anaconda c c++compiling conda html hadoop gcc gui fortran cuda java javascript julia jupyterhub openmp mpi openmpi programming programming-best-practices pthreads python sas Rust react scikit-learn spark spss sql xml batch-jobs core-hours gridengine job-charging job-array job-accounting job-failure job-sizing job-submission lsf pre-emption pending-jobs pbs process-killed resources slurm schedulers sge scheduling artificial-intelligence computer-science computational-chemistry data-science materials-science mathematics quantum-computing statistics cybersecurity duo encryption federated-authentication firewall key-management putty rdp spectrum-scale secure-data-architecture terminal-emulation-and-window-management vpn vnc containers dependencies docker kubernetes pip version-control software-installation

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

Abdullah Al Maruf

Programs

CCMNet

Skills

Mariavictoria Moreno

The University of Texas at San Antonio

Programs

ACCESS CSSN

Skills

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

Aya Nawano

Yale University

Programs

CAREERS, ACCESS CSSN

Skills

lammps molecular-dynamics materials-science

People

Skills

Organization

Program