namd

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Edwin Posada	Campus Champions	administering-hpc bash batch-jobs benchmarking c c++ cluster-management cluster-support 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...
Mark Perri	Campus Champions	computational-chemistry docker gamess jetstream namd openstack programming python more...	computational-chemistry docker gamess jupyterhub molecular-dynamics namd python quantum-mechanics
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...

Users

Name	Roles	Skills	Interests
Lenore Martin	researcher/educator	administering-hpc amber anaconda backup bash bioinformatics biology charmm more...	administering-hpc ai amber anaconda bioinformatics biology charmm community-outreach more...

Projects

Project Title	Project Institution	Project Owner	Tags	Status
Electrostatics of the GABA(A) receptor pore	Rutgers University–Camden	Galen Collier	bash, molecular-dynamics, namd, programming, programming-best-practices, scripting, slurm	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
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

People with Expertise

Lenore Martin

University of Rhoide Island

Programs

CAREERS

Roles

researcher/educator

Lenore in office

Expertise

administering-hpc

amber

anaconda

backup

bash

+53 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

Bala Desinghu Photo

Interests

affinity-group

ai

allocations-proposal

amber

anaconda

+115 more tags

Aya Nawano

Yale University

Programs

CAREERS, ACCESS CSSN, Open OnDemand

Roles

research computing facilitator, cssn

A woman wearing a white blouse smiling

Interests

anaconda

bash

batch-jobs

benchmarking

c

+42 more tags

Shawn Sivy

The College of New Jersey

Programs

Campus Champions, CAREERS

Roles

research computing facilitator, ci systems engineer

Interests

administering-hpc

amber

ansible

astrophysics

authentication

+88 more tags