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Nannan Shan

Purdue University

Senior Computational Scientist

Programs

CCMNet, ACCESS CSSN

Skills

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

Jason Wells

Harvard University

Programs

ACCESS CSSN, Campus Champions

Skills

data-compliance data-management secure-data-architecture project-management gromacs biology cui pytorch scikit-learn machine-learning comsol fluid-dynamics natural-language-processing file-systems git github r python sql research-facilitation xsede resources scheduling api bash batch-jobs docker environment-modules matlab cpu-bound memory optimization performance-tuning scaling administering-hpc cluster-management cluster-support hardware gpu hpc-cluster-architecture hpc-cluster-build nfs hpc-operations ethernet slurm sge pbs encryption duo vm vim unix-environment tuning rstudio-server pip jupyterhub cuda training

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