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
Lonnie Crosby
University of Tennessee, Knoxville
Programs
Campus Champions, ACCESS CSSN
Roles
researcher/educator, research computing facilitator, Affinity Group Leader, CIP
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
People with Interest
Jonathan Lyon
Murray State University
Programs
At-Large, Campus Champions, Kentucky, ACCESS CSSN
Roles
mentor, researcher/educator, cssn
Interests
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