molecular-dynamics
Mentors and Regional Facilitators
| Name | Region | Skills | Interests |
|---|---|---|---|
| Aya Nawano | CAREERS, ACCESS CSSN | ||
| Balamurugan Desinghu | ACCESS CSSN, Campus Champions, CAREERS, Northeast | ||
| Jacob Pessin | Northeast | ||
| Juan Vanegas | Northeast | ||
| Jason Key | Campus Champions | ||
| Lisa Perez | SWEETER | ||
| Paul Rulis | Campus Champions | ||
| Russell Hofmann | ACCESS CSSN | ||
| Sean Anderson | Campus Champions | ||
| Xiaoqin Huang | ACCESS CSSN | ||
| Sebastian Sensale | Campus Champions | ||
| Swabir Silayi | Campus Champions | ||
| Thomas Cheatham | Campus Champions, RMACC |
Users
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Projects
| Project Title | Project Institution | Project Owner | Tags | Status Sort descending |
|---|---|---|---|---|
| Solvation Shell and Ion Pair Species Geometries and Energetics of Magnesium and Zinc Ions | Centre College | Vikram Gazula | computational-chemistry, gaussian, molecular-dynamics | Recruiting |
| Properties of Atomic Clusters | Murraystate | Vikram Gazula | molecular-dynamics, computational-chemistry, gaussian, batch-jobs | Recruiting |
Blog Entries
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Affinity Groups
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Announcements
| Title | Date |
|---|---|
| Ookami Webinar | 02/14/24 |
| Request for Proposals for Anton 2 | 05/09/23 |
Upcoming Events & Trainings
Topics from Ask.CI
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CI Links
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| CHARMM Links to Install, Run, and Troubleshoot MD Simulations | Learning | charmm, molecular-dynamics, namd, computational-chemistry | Beginner, Intermediate |
| Molecular Dynamics Tutorials for Beginner's | Learning | cloud-computing, amber, charmm, gromacs, molecular-dynamics, namd, computational-chemistry | Beginner |
Engagements
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People with Expertise
Thomas Cheatham
University of Utah
Programs
Campus Champions, RMACC
Roles
mentor, research computing facilitator, domain champion
Expertise
Balamurugan Desinghu
Rutgers, the State University of New Jersey
Programs
ACCESS CSSN, Campus Champions, CAREERS, Northeast
Roles
mentor, researcher/educator, research computing facilitator, cssn, Consultant
Expertise
Xiaoqin Huang
Rice University
Programs
ACCESS CSSN
Roles
mentor, research computing facilitator, research software engineer, cssn
Expertise
People with Interest
Interests
Interests