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Wake Forest University

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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

Yves Dubief

University of Vermont

Associate Professor

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Northeast

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big-data molecular-dynamics python mpi

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

xqhuang at Rice

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 Chicago

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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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Nannan Shan

Purdue University

Senior Computational Scientist

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CCMNet, ACCESS CSSN

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George Mason University

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Juan Vanegas

Oregon State University

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Northeast

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bash batch-jobs bioinformatics compiling conda environment-modules hpc-cluster-build hpc-operations jupyterhub molecular-dynamics nfs pip python slurm ssh storage x11 mpi