People

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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

Eren Ada

University of Rhode Island

Programs

CAREERS

Skills

big-data community-outreach software-carpentry bioinformatics fastx gatk biology git github java r anaconda bash docker openmp compiling rstudio-server jupyterhub dependencies vim

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

Christopher Blanton, Ph.D.

North Carolina State University

Programs

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

Skills

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

Frédéric Chevalier

Texas Biomedical Research Institute

Programs

Campus Champions

Skills

Yu-Chieh Chi

University of California, Santa Barbara

Programs

Campus Champions

Skills

Nicholas Colella

Harvard University

Programs

Northeast

Skills

computational-chemistry

Lonnie Crosby

University of Tennessee, Knoxville

Programs

Campus Champions, ACCESS CSSN

Skills

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

Shawn Doughty

Tufts University

Programs

Campus Champions, Northeast

Skills

aws batch-jobs cgroups containers fastx file-systems globus gpu hardware hpc-operations professional-development programming programming-best-practices python scheduling slurm ssh unix-environment

Matt Ferguson

Boise State University

Associate Professor of Physics

Programs

At-Large

Skills

Jacob Fosso Tande

North Carolina State University

Computational Scientist

Programs

ACCESS CSSN, Campus Champions, CCMNet

Skills

sciencedmz data-transfer github jekyll research-facilitation training version-control community-outreach dft computational-chemistry gaussian quantum-mechanics fortran git bash c++python scripting azure cluster-support file-transfer globus compiling software-installation debugging dependencies jupyterhub kubernetes administering-hpc NAIRR-pilot linear-programming data-analysis big-data image-processing aws cloud-computing cloudlab cloud cloud-commercial data-lifecycle data-management data-sharing data-reproducibility data-provenance data-management-software database github-pages workflow storage s3 quota metadata memory IO-issue profiling performance-tuning benchmarking cpu-bound hpc-storage hpc-operations hpc-getting-started dtn gpu nvidia unix-environment environment-modules modules os permissions ssh ACCESS ACCESS-allocations bridges-2 expanse jetstream open-science-grid stampede3 campus-champions abstract proposal-development workforce-development software-carpentry research-grants professional-development mentorship citation gcc programming-best-practices programming lsf pbs schedulers core-hours job-submission job-sizing resources chemistry data-compliance containers pip singularity interactive-mode library-paths lmod docker

Samuel Frederick

University of Illinois at Urbana-Champaign

Programs

Skills

computational-chemistry python

Jordan Hayes

University of California-Riverside

Programs

Campus Champions

Skills

bash anaconda singularity modules gpfs slurm duo compiling conda jupyterhub mpi pip rstudio-server jekyll xml big-data data-management data-transfer file-formats aws cyverse training software-carpentry bioinformatics fastx gatk genomics smrt trinity gaussian gromacs amber charmm namd pytorch scikit-learn comsol atlas git github github-pages programming programming-best-practices cleanup version-control c pthreads c++fortran java python r sql xsede scheduling job-array pending-jobs pre-emption api batch-jobs checkpoint dmtcp docker kubernetes distributed-computing environment-modules parameter-sweeps cpu-bound scripting tmux screen terminal-emulation-and-window-management administering-hpc cluster-management cgroups prometheus cluster-support file-transfer globus x11 vpn ssh smb sftp samba rdp putty vnc federated-authentication cilogon hardware infiniband interconnect nvidia hpc-cluster-build gpu acls hpc-storage cifs nfs spectrum-scale networking dtn ethernet firewall sciencedmz tcp schedulers sge pbs encryption key-management software-installation easybuild spark unix-environment vim vm

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

Konda Reddy Karnati

Bowie State University

Programs

Campus Champions

Skills

machine-learning big-data bash ACCESS ACCESS-account management campus-champions xsede professional-development mentorship cuda programming python genomics computational-chemistry artificial-intelligence bioinformatics centos

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

Rocio Lavado

University of Houston

Programs

ACCESS CSSN

Skills

computational-chemistry quantum-computing python networking