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
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	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...
Sebastian Sensale	Campus Champions	amber bash bridges-2 expanse lammps matlab molecular-dynamics namd more...
Swabir Silayi	Campus Champions	amber anaconda bash batch-jobs benchmarking c c++ checkpoint more...	administering-hpc cluster-management

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 Sort descending	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

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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

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

Mark Perri

Sonoma State University

Programs

Campus Champions

Roles

researcher/educator, research computing facilitator

Expertise

computational-chemistry

docker

gamess

jetstream

namd

+5 more tags

Swabir Silayi

George Mason University

Programs

Campus Champions

Roles

research computing facilitator

Expertise

amber

anaconda

bash

batch-jobs

benchmarking

+66 more tags

Edwin Posada

Temple University

Programs

Campus Champions

Roles

research computing facilitator

Expertise

administering-hpc

bash

batch-jobs

benchmarking

c

+61 more tags

People with Interest

Haley Michel

Virginia Polytechnic Institute and State University

Programs

ACCESS CSSN

Roles

cssn

Interests

charmm

computational-chemistry

gaussian

molecular-dynamics

namd

+1 more tags

Balamurugan Desinghu

Rutgers, the State University of New Jersey

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

Mark Perri

Sonoma State University

Programs

Campus Champions

Roles

researcher/educator, research computing facilitator

Interests

computational-chemistry

docker

gamess

jupyterhub

molecular-dynamics

+3 more tags