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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

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(-) Purdue University (1)

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(-) ACCESS CSSN

Funded in part by the National Science Foundation

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