computational-chemistry
Mentors and Regional Facilitators
| Name | Region | Skills | Interests |
|---|---|---|---|
| Anita Orendt | Campus Champions, RMACC | ||
| Alexander Pacheco | |||
| Bala Desinghu | CAREERS | ||
| Torey Battelle | |||
| Ben Lynch | Campus Champions | ||
| Christopher Bl… | Campus Champions | ||
| Balamurugan Desinghu | ACCESS CSSN, Campus Champions, CAREERS, Northeast | ||
| diana Trotman | CAREERS | ||
| Edwin Posada | Campus Champions | ||
| Yu-Chieh Chi | Campus Champions | ||
| Jonathan Lyon | At-Large, Campus Champions, Kentucky, ACCESS CSSN | ||
| Jacob Fosso Tande | Campus Champions | ||
| Jason Key | Campus Champions | ||
| Lonnie Crosby | Campus Champions | ||
| Lisa Perez | SWEETER | ||
| Justin Oelgoetz | Campus Champions | ||
| Mark Perri | Campus Champions | ||
| Paul Rulis | Campus Champions | ||
| Russell Hofmann | ACCESS CSSN | ||
| Sean Anderson | Campus Champions | ||
| Xiaoqin Huang | ACCESS CSSN | ||
| Spencer Pruitt | Northeast | ||
| Swabir Silayi | Campus Champions | ||
| Thomas Cheatham | Campus Champions, RMACC |
Topics from Ask.CI
Affinity Groups
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Affinity Groups
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Announcements
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Upcoming Events & Trainings
Topics from Ask.CI
CI Links
| Title | Category | Tags | Skill Level |
|---|---|---|---|
| Awesome Jupyter Widgets (for building interactive scientific workflows or science gateway tools) | Learning | ai, computer-graphics, plotting, visualization, big-data, data-analysis, deep-learning, image-processing, machine-learning, monte-carlo, neural-networks, data-sharing, data-lifecycle, data-management, data-management-software, data-reproducibility, github, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, ondemand, science-gateway, c++, jupyterhub, python | Beginner, Intermediate, Advanced |
| 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 |
Engagements
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People with Expertise
Justin Oelgoetz
Austin Peay State University
Programs
Campus Champions
Roles
mentor, researcher/educator, research computing facilitator
Expertise
Expertise
Expertise
People with Interest
Steve Spicklemire
University of Indianapolis
Programs
Campus Champions
Roles
research computing facilitator
Interests
Jonathan Lyon
Murray State University
Programs
At-Large, Campus Champions, Kentucky, ACCESS CSSN
Roles
mentor, researcher/educator, cssn
Interests
Christina Koch
University of Wisconsin-Madison
Programs
ACCESS CSSN
Roles
research computing facilitator, cssn, Affinity Group Leader
