People
Purdue University
Senior Computational Scientist
Programs
CCMNet, ACCESS CSSN
Skills
computational-chemistrymaterials-sciencegamessgaussiangromacslammpsmolecular-dynamicsnamdpytorchtensorflowasecp2kcharmmamberdocumentationlicenseloginticketsauthenticationdata-analysismonte-carlovisualizationdata-transferglobussftpbenchmarkingcheckpointscalingparallelizationopen-ondemandscience-gatewayapiadministering-hpccluster-supportgpuunix-environmentbashenvironment-modulesgitmodulessshvimACCESSanvilabstractcitationmentorshipprofessional-developmentproject-managementproposal-developmentresearch-grantstraininganacondajupyterhubmathematicapythonscikit-learnbatch-jobsslurmjob-arraypbscentosspackdftpip
George Mason University
Programs
ACCESS CSSN, CCMNet, Campus Champions
Skills
data-analysisdata-wranglingdata-transferstataspssbenchmarkingtrainingsoftware-carpentrycomputational-chemistrydftgamessgaussianmolecular-dynamicsambergromacslammpsnamdquantum-mechanicsmachine-learningpytorchscikit-learnmaterials-sciencegitgithubgithub-pagesprogrammingprogramming-best-practicescleanupcc++fortranjavapythonrsqlresourcesresearch-facilitationxsedeschedulingjob-arraypending-jobspre-emptionanacondabashbatch-jobscheckpointdmtcpcontainersdockersingularitydistributed-computingenvironment-moduleslmodmodulesmatlabopenmpscriptingcluster-supportfile-transferglobusschedulersslurmcudaparallelizationvectorizationjupyterhubmpispackunix-environmentvimsas
Michigan State University
Programs
Campus Champions
Skills
supervised-learningunsupervised-learningmachine-learningneural-networkslinear-programmingparameter-sweepsvectorizationmonte-carlofinite-element-analysisgithubglobusbenchmarkingcheckpointparallelizationoptimizationperformance-tuningprofilingscalingtiming-issuescience-gatewaybashgitscriptingpermissionsmodulesjetstreamtrainingfortranc++cjuliamatlabmpiopenmpropenmpiperlpythongcccondacompilingbatch-jobsjob-arrayjob-submissionpbsresourcesslurmcentoscontainersdependenciesdockereasybuildinteractive-modelibrary-pathslmodnetcdfpipsingularitysoftware-installationversion-control