gromacs

Mentors and Regional Facilitators

Name	Region	Skills	Interests
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...
Edwin Posada	Campus Champions	administering-hpc bash batch-jobs benchmarking c c++ cluster-management cluster-support more...
Yu-Chieh Chi	Campus Champions	anaconda bash batch-jobs c c++ computational-chemistry containers cuda more...
Jordan Hayes	Campus Champions	acls administering-hpc amber anaconda api atlas aws bash more...
Jason Key	Campus Champions	amber computational-chemistry gromacs molecular-dynamics namd
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...
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

Users

Name	Roles	Skills	Interests
Bala Desinghu	mentor researcher/educator rcf	ai anaconda api bash batch-jobs benchmarking big-data bioinformatics more...	affinity-group ai allocations-proposal amber anaconda archiving backup bash more...

Projects

Project Title	Project Institution	Project Owner	Tags	Status
Understanding Mechanical Properties of Bio-interfaces with HPC Molecular Simulations	University of Vermont	Juan Vanegas	bioinformatics, computational-chemistry, gromacs, molecular-dynamics, mpi, python	Complete

Blog Entries

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Affinity Groups

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Announcements

Title	Date
Ookami Webinar	02/14/24

Upcoming Events & Trainings

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Topics from Ask.CI

Knowledge Base Resources

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

People with Expertise

Bala Desinghu

Harvard University

Programs

ACCESS CSSN, Campus Champions, CAREERS, Northeast

Roles

mentor, researcher/educator, research computing facilitator, cssn, Consultant

Expertise

anaconda

api

bash

batch-jobs

+84 more tags

People with Interest

Bala Desinghu

Harvard University

Programs

ACCESS CSSN, Campus Champions, CAREERS, Northeast

Roles

mentor, researcher/educator, research computing facilitator, cssn, Consultant

Interests

affinity-group

allocations-proposal

amber

anaconda

+115 more tags