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Jacob Fosso Tande

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 monte-carlo azure cluster-support file-transfer globus compiling software-installation debugging dependencies jupyterhub kubernetes administering-hpc+ 25 more

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+ 83 more

Od Odbadrakh

University of Tennessee, Knoxville

Computational Scientist

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materials-science slurm batch-jobs ssh vim git modules bash environment-modules c c++python fortran openmpi mpi pip spack version-control lammps dft deep-learning monte-carlo machine-learning neural-networks login account tickets documentation ai github archiving benchmarking xalt profiling scaling checkpoint molecular-dynamics paraview pytorch tensorflow permissions scripting vm ACCESS ACCESS-account ACCESS-allocations affinity-group research-facilitation xsede gcc programming programming-best-practices openmp job-submission resources job-array software-installation lmod+ 53 more

Nannan Shan

Purdue University

Senior Computational Scientist

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CCMNet, ACCESS CSSN

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computational-chemistry materials-science gamess gaussian gromacs lammps molecular-dynamics namd pytorch tensorflow ase cp2k charmm amber documentation license login tickets authentication data-analysis monte-carlo visualization data-transfer globus sftp benchmarking checkpoint scaling parallelization open-ondemand science-gateway api administering-hpc cluster-support gpu unix-environment bash environment-modules git modules ssh vim ACCESS anvil abstract citation mentorship professional-development project-management proposal-development research-grants training anaconda jupyterhub mathematica python scikit-learn batch-jobs slurm job-array pbs centos spack dft pip+ 60 more

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bash (42) bash (42)
git (34) git (34)
r (29) r (29)
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github (27) github (27)
machine-learning (27) machine-learning (27)
ssh (27) ssh (27)
programming (25) programming (25)
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training (24) training (24)
c (23) c (23)
research-facilitation (21) research-facilitation (21)
jupyterhub (20) jupyterhub (20)
pip (20) pip (20)
software-installation (20) software-installation (20)
vim (20) vim (20)
computational-chemistry (19) computational-chemistry (19)
matlab (19) matlab (19)
pytorch (19) pytorch (19)
data-science (18) data-science (18)
docker (18) docker (18)
neural-networks (18) neural-networks (18)
community-outreach (17) community-outreach (17)
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deep-learning (17) deep-learning (17)
fortran (17) fortran (17)
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singularity (17) singularity (17)
anaconda (16) anaconda (16)
big-data (16) big-data (16)
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optimization (16) optimization (16)
parallelization (16) parallelization (16)
sql (16) sql (16)
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modules (15) modules (15)
programming-best-practices (15) programming-best-practices (15)
scikit-learn (15) scikit-learn (15)
tensorflow (15) tensorflow (15)
ai (14) ai (14)
environment-modules (14) environment-modules (14)
mpi (14) mpi (14)
benchmarking (13) benchmarking (13)
materials-science (13) materials-science (13)
openmp (13) openmp (13)
project-management (13) project-management (13)
unix-environment (13) unix-environment (13)
administering-hpc (12) administering-hpc (12)
bioinformatics (12) bioinformatics (12)
cluster-support (12) cluster-support (12)
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