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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

Devin Bayly

University of Arizona

Data and Visualization Consultant

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Katia Bulekova

Boston University

Manager of Scientific Programming and Applications

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ACCESS CSSN, Campus Champions, CAREERS, CCMNet, Northeast

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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

Fernando Garzon

University of California, San Diego

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Brian Gregor

Boston University

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ACCESS CSSN, Northeast, Campus Champions

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big-data storage debugging gpu hardware job-sizing machine-learning matlab programming programming-best-practices python tensorflow unix-environment mpi

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

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

Mariavictoria Moreno

The University of Texas at San Antonio

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

Aya Nawano

Yale University

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lammps molecular-dynamics materials-science

Od Odbadrakh

University of Tennessee, Knoxville

Computational Scientist

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Parameshwaran Pasupathy

Rutgers, the State University of New Jersey

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Raghunandan Pratoori

Iowa State University

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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

Michael Schnaitter

University of Pennsylvania

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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

Kevin Van Slyke

SUNY at Buffalo

Senior Research Computing and Data Facilitator

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Jason Wells

Harvard University

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Kesong Yang

University of California, San Diego

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expanse materials-science computational-chemistry python c++

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