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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

Swabir Silayi

George Mason University

Programs

ACCESS CSSN, CCMNet, Campus Champions

Roles

mentor, research computing facilitator, cssn, Consultant, CCMNet

Expertise

amber
anaconda
bash
batch-jobs
benchmarking
+66 more tags

Haseeb Ahmad

University of California, Merced

Programs

CCMNet

Roles

CCMNet

Placeholder headshot

Expertise

abstract
access
access-account
affiliations
artificial-intelligence
+9 more tags

Russell Hofmann

Internet2

Programs

ACCESS CSSN, CCMNet

Roles

mentor, cssn, CCMNet

Placeholder headshot

Expertise

computational-chemistry
data-analysis
data-science
dft
gaussian
+12 more tags

People with Interest

Sapana Soni

LBNL

Programs

CCMNet

Roles

CCMNet

Placeholder headshot

Interests

abaqus
access
access-account
account
aces
+129 more tags

Elizabeth Leake

Texas A&M University

Programs

CCMNet

Roles

mentor, research computing facilitator, CCMNet

Photo of Elizabeth Leake

Interests

artificial-intelligence
arts
atmospheric-physics
bioinformatics
biology
+22 more tags

Russell Hofmann

Internet2

Programs

ACCESS CSSN, CCMNet

Roles

mentor, cssn, CCMNet

Placeholder headshot

Interests

administering-hpc
cluster-support
computational-chemistry
data-analysis
data-science
+18 more tags