computational-chemistry

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Project Title	Project Institution	Project Owner	Tags	Status
USD CI Improvements to Advanced Chemistry and Neuroscience Research	University of South Dakota	Kevin Brandt	training, workflow, research-computing, research-facilitation, research-grants, software-design, hpc-tools, github, data-handling, computational-chemistry, gaussian, file-transfer, globus, cyberinfrastructure, administering-hpc	Finishing Up

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Name	Region	Skills	Interests
Anita Orendt	RMACC	batch-jobs computational-chemistry environment-modules gaussian hpc hpc-getting-started Management/Professional Development software-installation
Torey Battelle	MINES, RMACC	account compiling computational-chemistry dependencies gpfs hpc-getting-started molecular-dynamics permissions more...
Lisa Perez	SWEETER	computational-chemistry gaussian molecular-dynamics quantum-mechanics technical-training-for-hpc
Thomas Cheatham	At-Large, RMACC	community-outreach computational-chemistry gpus Management/Professional Development molecular-dynamics proposal-development Researcher-facing workforce-development	cyberinfrastructure Data-facing Management/Professional Development Researcher-facing Systems-facing
Spencer Pruitt	Northeast	batch-jobs computational-chemistry cpus debugging distributed-computing hardware hpc-operations hpc-storage (s-facing) more...
Torey Battelle	At-Large, MINES, RMACC	administering-hpc batch-jobs computational-chemistry dft hpc qow quantum-mechanics research-computing more...	anaconda cloud cluster-management CUI hpc-tools hw-and-sw-integration ibm-power-nodes interconnect more...

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