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University of Tennessee, Knoxville

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

Michael Blackmon

Davidson College

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Campus Champions, ACCESS CSSN

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Lonnie Crosby

University of Tennessee, Knoxville

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Campus Champions, ACCESS CSSN

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Bala Desinghu

Harvard University

Rutgers University

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ACCESS CSSN, Campus Champions, CAREERS, Northeast

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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

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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

Russell Hofmann

Internet2

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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

masoud keramati

Northeastern University

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Alexandra Lamtyugina

University of Hawaii, Manoa

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Rocio Lavado

University of Houston

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computational-chemistry quantum-computing python networking

Jonathan Lyon

Murray State University

Assistant Professor

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At-Large, Campus Champions, Kentucky, ACCESS CSSN

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dft computational-chemistry gaussian quantum-mechanics fortran bash materials-science

Tom Maiden

Pittsburgh Supercomputing Center

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batch-jobs core-hours job-accounting job-submission pbs pending-jobs resources schedulers scheduling slurm training workforce-development xsede tickets login password ACCESS-website bridges-2

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Alison McClellan

Stanford University

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r python project-management research-facilitation research-grants biology computational-chemistry genomics

Timothy Middelkoop

Internet2

Research Engagement Engineer

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ACCESS CSSN, Campus Champions, CCMNet, Great Plains

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workforce-development python batch-jobs kubernetes software-carpentry containers docker dependencies version-control spack software-installation singularity podman pip lmod interactive-mode putty slurm core-hours scheduling gcc jupyterhub programming programming-best-practices rstudio-server sql abstract citation community-outreach professional-development project-management proposal-development research-facilitation research-grants training jetstream osg affinity-group ACCESS-allocations bash environment-modules git git-lfs modules os permissions screen scripting ssh tcp tmux vim vm administering-hpc ansible cluster cluster-management cluster-support configuration-automation deployment DNS ethernet file-systems hardware hpc-cluster-architecture hpc-cluster-build hpc-getting-started hpc-operations hpc-storage hpc-tools htc infiniband interconnect networking nfs provisioning puppet unix-environment api debugging data-transfer data-sharing file-transfer github github-pages globus s3 quota scratch sftp aws azure cloud cloud-commercial cloud-computing cloud-open-source cloud-storage cloudlab gce openstack linear-programming open-storage-network

Mariavictoria Moreno

The University of Texas at San Antonio

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

Katherine Nelson

Yale University

Team Lead of Computational Research Support

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Campus Champions, CAREERS, ACCESS CSSN

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Lisa Perez

Texas A&M University

Director, High Performance Research Computing

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computational-chemistry gaussian molecular-dynamics quantum-mechanics training

Emanuela Riglioni

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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

Nannan Shan

Purdue University

Senior Computational Scientist

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CCMNet, ACCESS CSSN

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Liwen Shih

University of Houston-Clear Lake

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Campus Champions, ACCESS CSSN, CCMNet

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Swabir Silayi

George Mason University

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Gil Speyer

Arizona State University

Scientific Software Engineer

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

Jason Wells

Harvard University

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