computational-chemistry
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Announcements
| Title | Date |
|---|---|
| Ookami Webinar | 02/14/24 |
| Open Call: Minisymposia for PASC24 | 10/05/23 |
Upcoming Events & Trainings
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Topics from Ask.CI
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
Nandan Tandon
University of Central Florida
Programs
CCMNet, Campus Champions
Roles
research computing facilitator, CCMNet
Expertise
Paul Rulis
University of Missouri-Kansas City
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator
Expertise
Konda Reddy Karnati
Bowie State University
Programs
Campus Champions
Roles
research computing facilitator
Expertise
People with Interest
Wirawan Purwanto
Old Dominion University
Programs
Campus Champions, Northeast, ACCESS CSSN, CCMNet
Roles
mentor, research computing facilitator, cssn, CCMNet
Interests
Gil Speyer
Arizona State University
Programs
ACCESS CSSN, Campus Champions
Roles
mentor, researcher/educator, research computing facilitator, Affinity Group Leader, CIP
Interests
Mark Perri
Sonoma State University
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator