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...
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 Wells	ACCESS CSSN, Campus Champions	administering-hpc api bash batch-jobs biology cluster-management cluster-support comsol 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...
Sean Anderson	ACCESS CSSN, Campus Champions, CCMNet	administering-hpc anaconda bash batch-jobs benchmarking cluster-support community-outreach compiling 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

There are no Blog Entries associated with this topic.

Affinity Groups

There are no Affinity Groups associated with this topic. View All Affinity Groups.

Announcements

Title	Date
Ookami Webinar	02/14/24

Upcoming Events & Trainings

No events or trainings are currently scheduled.

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

Engagements

There are no Engagements associated with this topic. View All Engagements.

People with Expertise

Sapana Soni

LBNL

Programs

CCMNet

Roles

CCMNet

Expertise

abstract

account

administering-hpc

affiliations

amber

+139 more tags

Edwin Posada

Temple University

Programs

Campus Champions

Roles

research computing facilitator

Expertise

administering-hpc

bash

batch-jobs

benchmarking

c

+61 more tags

Jason Key

Harvard Medical School

Programs

Campus Champions

Roles

research computing facilitator

Expertise

amber

computational-chemistry

gromacs

molecular-dynamics

namd

People with Interest

Xiaoqin Huang

Rice University

Programs

ACCESS CSSN

Roles

mentor, research computing facilitator, research software engineer, cssn

xqhuang at Rice

Interests

access-credits

access-website

adding-users

affinity-group

allocations-extension

+100 more tags

Marcus Bond

Southeast Missouri State University

Programs

Great Plains, Campus Champions, CCMNet

Roles

researcher/educator, research computing facilitator, Affinity Group Leader, CCMNet

Interests

atlas

c

gaussian

gromacs

hpc-cluster-architecture

+15 more tags

Russell Hofmann

Internet2

Programs

ACCESS CSSN, CCMNet

Roles

mentor, cssn, CCMNet

Interests

administering-hpc

cluster-support

computational-chemistry

data-analysis

data-science

+18 more tags