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
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
Jacob Fosso Tande
North Carolina State University
Programs
ACCESS CSSN, Campus Champions, CCMNet
Roles
researcher/educator, research computing facilitator, Affinity Group Leader, Consultant, CCMNet
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
Steve Spicklemire
University of Indianapolis
Programs
Campus Champions
Roles
research computing facilitator
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
Interests
Gil Speyer
Arizona State University
Programs
ACCESS CSSN, Campus Champions
Roles
mentor, researcher/educator, research computing facilitator, Affinity Group Leader, CIP
