computational-chemistry
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Affinity Groups
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Announcements
| Title | Date |
|---|---|
| Ookami Webinar | 02/14/24 |
| Open Call: Minisymposia for PASC24 | 10/05/23 |
Upcoming Events & Trainings
No events or trainings are currently scheduled.
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
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
Expertise
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
Expertise
Expertise
People with Interest
Interests
Mark Perri
Sonoma State University
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator
Interests
Paul Rulis
University of Missouri-Kansas City
Programs
Campus Champions
Roles
researcher/educator, research computing facilitator
