People

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

Devin Bayly

University of Arizona

Data and Visualization Consultant

Programs

ACCESS CSSN, Campus Champions, CCMNet

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

Yu-Chieh Chi

University of California, Santa Barbara

Programs

Campus Champions

Skills

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

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

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

Jason Key

Harvard Medical School

Programs

Campus Champions

Skills

computational-chemistry gromacs namd amber molecular-dynamics

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

Justin Oelgoetz

Austin Peay State University

Professor

Programs

Campus Champions, CCMNet

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

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

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

Swabir Silayi

George Mason University

Programs

ACCESS CSSN, CCMNet, Campus Champions

Skills

Gil Speyer

Arizona State University

Scientific Software Engineer

Programs

ACCESS CSSN, Campus Champions

Skills

parallelization optimization memory profiling scaling scripting debugging bioinformatics computational-chemistry quantum-mechanics bash training conda cuda c fortran matlab r gpu

Nandan Tandon

University of Central Florida

Computational Scientist

Programs

CCMNet, Campus Champions

Skills

computational-chemistry materials-science pbs slurm fortran bash modules ssh vim scripting ACCESS ACCESS-account ACCESS-allocations ACCESS-credits ACCESS-website adding-users sftp scratch globus

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