molecular-dynamics

Name	Region	Skills	Interests
Aya Nawano	CAREERS, ACCESS CSSN	lammps materials-science molecular-dynamics	anaconda bash batch-jobs benchmarking c c++ charmm compiling more...
Bala Desinghu	ACCESS CSSN, Campus Champions, CAREERS, Northeast	ai anaconda api bash batch-jobs benchmarking big-data bioinformatics more...	affinity-group ai allocations-proposal amber anaconda archiving backup bash more...
Daniel Benedict	CCMNet	ACCESS ansible anvil api bash batch-jobs benchmarking bridges-2 more...	ACCESS administering-hpc ansible anvil api archiving artificial-intelligence backup more...
Deborah Penchoff	Campus Champions	abstract ACCESS ACCESS-account adding-users affiliations ai allocation-management allocation-time more...
Jacob Pessin	Northeast	aws bash batch-jobs big-data bioinformatics cloud-storage cluster-support cyverse more...
Juan Vanegas	Northeast	bash batch-jobs bioinformatics compiling conda environment-modules hpc-cluster-build hpc-operations more...
Jason Key	Campus Champions	amber computational-chemistry gromacs molecular-dynamics namd
Od Odbadrakh	ACCESS CSSN	ACCESS ACCESS-account ACCESS-allocations account affinity-group ai archiving bash more...	ACCESS account ai archiving bash batch-jobs benchmarking c more...
Lisa Perez	SWEETER, ACCESS CSSN	computational-chemistry gaussian molecular-dynamics quantum-mechanics training
Nannan Shan	CCMNet, ACCESS CSSN	abstract ACCESS administering-hpc amber anaconda anvil api ase more...	ai aws azure cloud-computing containers data-science deep-learning kubernetes more...
Paul Rulis	Campus Champions	abstract affiliations ai bash batch-jobs c c++ checkpoint more...	abstract affiliations ai amber atlas bash batch-jobs benchmarking more...
Russell Hofmann	ACCESS CSSN, CCMNet	computational-chemistry data-analysis data-science dft gaussian genomics gromacs kubernetes more...	administering-hpc cluster-support computational-chemistry data-analysis data-science dft gaussian genomics more...
Xiaoqin Huang	ACCESS CSSN	ACCESS-account ACCESS-credits adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...	ACCESS-credits ACCESS-website adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...
Swabir Silayi	ACCESS CSSN, CCMNet, Campus Champions	amber anaconda bash batch-jobs benchmarking c c++ checkpoint more...	administering-hpc cluster-management
Sebastian Sensale	Campus Champions	amber bash bridges-2 expanse lammps matlab molecular-dynamics namd more...
Thomas Cheatham	Campus Champions, RMACC	community-outreach computational-chemistry gpu management molecular-dynamics proposal-development workforce-development	management

Name

Region

Skills

Interests

Aya Nawano

CAREERS, ACCESS CSSN

lammps

materials-science

molecular-dynamics

Bala Desinghu

ACCESS CSSN, Campus Champions, CAREERS, Northeast

Daniel Benedict

CCMNet

artificial-intelligence

backup

more...

Deborah Penchoff

Campus Champions

allocation-management

allocation-time

more...

Jacob Pessin

Northeast

Juan Vanegas

Northeast

Jason Key

Campus Champions

amber

computational-chemistry

gromacs

molecular-dynamics

namd

Od Odbadrakh

ACCESS CSSN

Lisa Perez

SWEETER, ACCESS CSSN

computational-chemistry

Nannan Shan

CCMNet, ACCESS CSSN

Paul Rulis

Campus Champions

Russell Hofmann

ACCESS CSSN, CCMNet

computational-chemistry

computational-chemistry

Xiaoqin Huang

ACCESS CSSN

allocations-extension

allocations-extension

Swabir Silayi

ACCESS CSSN, CCMNet, Campus Champions

Sebastian Sensale

Campus Champions

Thomas Cheatham

Campus Champions, RMACC

community-outreach

computational-chemistry

workforce-development

management

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Announcements

Title	Date
Ookami Webinar	02/14/24
Request for Proposals for Anton 2	05/09/23

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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
Molecular Dynamics Tutorials for Beginner's	Learning	cloud-computing, amber, charmm, gromacs, molecular-dynamics, namd, computational-chemistry	Beginner