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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

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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

Paritosh Kaushik

Rensselaer Polytechnic Institute

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CAREERS

Skills

azure aws project-management ai big-data deep-learning machine-learning pytorch scikit-learn neural-networks api anaconda distributed-computing kubernetes docker vm unix-environment vim profiling networking

Madhukara Kekulandara

University of Rhode Island

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Adham Khalifa

Connecticut College

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opencv pytorch tensorflow natural-language-processing api

Steven Kuhlo

UT Dallas

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Skills

batch-jobs cluster-management cluster-support ssh x11 rdp samba sftp smb cpu-architecture hardware gpu hpc-cluster-architecture hpc-cluster-build gpfs nfs networking infiniband interconnect

Louis Li

Brown University

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David Liu

Purdue University

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CCMNet

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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

shuai liu

University of Arkansas

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Abdullah Al Maruf

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CCMNet

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Stanley Nwoji

Harrisburg University of Science and Technology

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Od Odbadrakh

University of Tennessee, Knoxville

Computational Scientist

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Picture of me standing in front of a tree

Soham Pal

University of Illinois at Urbana-Champaign

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ACCESS CSSN, Campus Champions, CCMNet

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Jeho Park

Claremont McKenna College

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CCMNet, Campus Champions

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Deborah Penchoff

University of Tennessee, Knoxville

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Campus Champions

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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

Michael Puerrer

University of Rhode Island

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Campus Champions, Northeast

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Xilin Qiao

University of Wisconsin-Madison

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ACCESS CSSN

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Iman Rahbari

University of Southern California

Programs

Campus Champions, ACCESS CSSN, CCMNet

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data-analysis machine-learning fluid-dynamics comsol openfoam paraview tensorflow bash modules ssh fortran python openmpi scikit-learn matlab mpi singularity pip software-installation rdp vnc

Emanuela Riglioni

Programs

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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

Seth Rosen

Colgate University

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Mark Rosenbaum

University of Colorado, Denver

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Skills

cybersecurity data-compliance vnc vpn secure-data-architecture data-security encryption acls putty rdp federated-authentication cmmc cui cilogon terminal-emulation-and-window-management

Paul Rulis

University of Missouri, Kansas City

Associate Professor of Physics

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Campus Champions

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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