computational-chemistry
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Announcements
| 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
Thomas Cheatham
University of Utah
Programs
Campus Champions
Roles
mentor, research computing facilitator, domain champion
Expertise
Expertise
Yu-Chieh Chi
University of California, Santa Barbara
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator, research software engineer
Expertise
People with Interest
Interests
Wirawan Purwanto
Old Dominion University
Programs
Campus Champions, Northeast, ACCESS CSSN, CCMNet
Roles
mentor, research computing facilitator, cssn, CCMNet
Interests
Mark Perri
Sonoma State University
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator