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Purdue University
Senior Computational Scientist
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CCMNet, ACCESS CSSN
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computational-chemistrymaterials-sciencegamessgaussiangromacslammpsmolecular-dynamicsnamdpytorchtensorflowasecp2kcharmmamberdocumentationlicenseloginticketsauthenticationdata-analysismonte-carlovisualizationdata-transferglobussftpbenchmarkingcheckpointscalingparallelizationopen-ondemandscience-gatewayapiadministering-hpccluster-supportgpuunix-environmentbashenvironment-modulesgitmodulessshvimACCESSanvilabstractcitationmentorshipprofessional-developmentproject-managementproposal-developmentresearch-grantstraininganacondajupyterhubmathematicapythonscikit-learnbatch-jobsslurmjob-arraypbscentosspackdftpip