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
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
Paul Rulis
University of Missouri-Kansas City
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator
Interests
Jonathan Lyon
Murray State University
Programs
At-Large, Campus Champions, Kentucky, ACCESS CSSN
Roles
mentor, researcher/educator, cssn
Interests
Uthpala Herath
Duke University
Programs
ACCESS CSSN, Campus Champions
Roles
mentor, researcher/educator, research computing facilitator, research software engineer, ci systems engineer, cssn, Consultant, CIP
