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computational-chemistry

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Title Date
Ookami Webinar 02/14/24
Open Call: Minisymposia for PASC24 10/05/23

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Topics from Ask.CI

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Knowledge Base Resources

Title Category Tags Skill Level
CHARMM Links to Install, Run, and Troubleshoot MD Simulations Learning charmm, molecular-dynamics, namd, computational-chemistry Beginner, Intermediate
DeepChem Tool pytorch, tensorflow, computational-chemistry Beginner, Intermediate, Advanced
Gaussian 16 Tool gaussian, computational-chemistry Intermediate, Advanced

People with Expertise

Mark Perri

Sonoma State University

Programs

Campus Champions

Roles

researcher/educator, research computing facilitator

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Expertise

Nandan Tandon

University of Central Florida

Programs

CCMNet, Campus Champions

Roles

research computing facilitator, CCMNet

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Expertise

Thomas Cheatham

University of Utah

Programs

Campus Champions

Roles

mentor, research computing facilitator, domain champion

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Expertise

People with Interest

Paul Rulis

University of Missouri-Kansas City

Programs

Campus Champions

Roles

researcher/educator, research computing facilitator

Paul Rulis

Interests

Torey Battelle

Arizona State University

Programs

Campus Champions, CCMNet

Roles

mentor, regional facilitator, research computing facilitator, Affinity Group Leader, regional admin, CCMNet PM, CCMNet, CCMNet Admin

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Interests

Wirawan Purwanto

Old Dominion University

Programs

Campus Champions, Northeast, ACCESS CSSN, CCMNet

Roles

mentor, research computing facilitator, cssn, CCMNet

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Interests