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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

Brendan Philbin

Middlebury College

Programs

Northeast

Skills

bash mathematica programming c++python scripting distributed-computing cuda parallelization mpi spark unix-environment

Raghunandan Pratoori

Iowa State University

Programs

ACCESS CSSN

Skills

Sanguthevar Rajasekaran

University of Connecticut

Programs

CAREERS

Skills

Emanuela Riglioni

Programs

ACCESS CSSN

Skills

data-analysis monte-carlo machine-learning pytorch computational-chemistry materials-science particle-physics bash git ssh vim community-outreach project-management python r anaconda jupyterhub compiling

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

Nannan Shan

Purdue University

Senior Computational Scientist

Programs

CCMNet, ACCESS CSSN

Skills

Swabir Silayi

George Mason University

Programs

ACCESS CSSN, CCMNet, Campus Champions

Skills

Sathish Srinivasan

Programs

ACCESS CSSN

Skills

ai machine-learning big-data image-processing linear-programming data-analysis visualization data-lifecycle database github sftp cephfs data-provenance data-reproducibility data-wrangling benchmarking profiling fastx gatk opencv pytorch tensorflow galaxy pegasus ansible ceph administering-hpc cluster-management cluster cifs hpc-cluster-architecture networking nfs unix-environment smb hpc-tools prometheus bash cleanup environment-modules git git-lfs modules os permissions screen scripting ssh tcp tcsh tmux vim vm x11 c c++compiling css fortran gcc html java julia mathematica matlab perl programming pthreads python r rstudio-server sas scikit-learn spark spss sql stata xml hadoop batch-jobs lsf pbs slurm sge acls federated-authentication key-management firewall putty rdp vpn vnc terminal-emulation-and-window-management centos containers dependencies docker kubernetes lmod pip podman singularity software-installation version-control

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

Scott Valcourt

Roux Institute, Northeastern University

Associate Teaching Professor

Programs

Northeast, Campus Champions

Skills

Xuejing Wang

University of Massachusetts Dartmouth

Programs

CAREERS

Skills

materials-science finite-element-analysis git r arcgis python

Kesong Yang

University of California, San Diego

Programs

ACCESS CSSN

Skills

expanse materials-science computational-chemistry python c++