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
Sean Anderson	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
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

Engagements

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

People with Expertise

Nannan Shan

Purdue University

Programs

CCMNet, ACCESS CSSN

Roles

mentor, researcher/educator, research computing facilitator, research software engineer, cssn, Affinity Group Leader, Consultant, CCMNet

Expertise

abstract

access

administering-hpc

amber

anaconda

+60 more tags

Xiaoqin Huang

Rice University

Programs

ACCESS CSSN

Roles

mentor, research computing facilitator, research software engineer, cssn

xqhuang at Rice

Expertise

adding-users

allocations-extension

+83 more tags

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

People with Interest

Ana Marija Sokovic

University of Illinois at Chicago

Programs

CCMNet

Roles

CCMNet

Interests

access-credits

ai

amber

aws

bash

+69 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

Haley Michel

Virginia Polytechnic Institute and State University

Programs

ACCESS CSSN

Roles

cssn

Interests

charmm

computational-chemistry

gaussian

molecular-dynamics

namd

+1 more tags