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
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
Deborah Penchoff
University of Tennessee - Knoxville
Programs
Campus Champions
Roles
research computing facilitator
Expertise
Expertise
Marcus Bond
Southeast Missouri State University
Programs
Great Plains, Campus Champions, CCMNet
Roles
researcher/educator, research computing facilitator, Affinity Group Leader, CCMNet
Expertise
People with Interest
Dung Vu
California State University-San Bernardino
Programs
ACCESS CSSN, Campus Champions, CCMNet
Roles
research computing facilitator, research software engineer, ci systems engineer, CIP, CCMNet
Interests
Hadia Bayat
University of California, San Diego
Programs
Campus Champions, ACCESS CSSN
Roles
student champion, cssn, CIP
Interests
Mark Perri
Sonoma State University
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator