molecular-dynamics

Mentors and Regional Facilitators
Name Region Skills Interests
Aya Nawano CAREERS, ACCESS CSSN
lammps
materials-science
molecular-dynamics
anaconda
bash
batch-jobs
benchmarking
c
c++
charmm
compiling
more...
Balamurugan 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...
Jacob Pessin Northeast
aws
bash
batch-jobs
big-data
bioinformatics
cloud-storage
cluster-support
cyverse
more...
Juan Vanegas Northeast
bash
batch-jobs
bioinformatics
compiling
conda
environment-modules
hpc-cluster-build
hpc-operations
more...
Jason Key Campus Champions
amber
computational-chemistry
gromacs
molecular-dynamics
namd
Lisa Perez SWEETER
computational-chemistry
gaussian
molecular-dynamics
quantum-mechanics
training
Paul Rulis Campus Champions
abstract
affiliations
ai
bash
batch-jobs
c
c++
checkpoint
more...
abstract
affiliations
ai
amber
atlas
bash
batch-jobs
benchmarking
more...
Russell Hofmann ACCESS CSSN
computational-chemistry
data-analysis
data-science
dft
gaussian
genomics
gromacs
kubernetes
more...
administering-hpc
cluster-support
computational-chemistry
data-analysis
data-science
gaussian
genomics
gromacs
more...
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
Thomas Cheatham Campus Champions, RMACC
community-outreach
computational-chemistry
gpu
management
molecular-dynamics
proposal-development
workforce-development
management
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Announcements

Title Date
Ookami Webinar 02/14/24
Request for Proposals for Anton 2 05/09/23

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People with Expertise

Alexandra Lamtyugina

University of Chicago

Programs

ACCESS CSSN

Roles

student-facilitator

Photo of Alexandra Lamtyugina

Expertise

benchmarking
big-data
c++
compiling
computational-chemistry
+17 more tags

Lenore Martin

University of Rhoide Island

Programs

CAREERS

Roles

researcher/educator

Lenore in office

Expertise

administering-hpc
amber
anaconda
backup
bash
+53 more tags

Sean Anderson

Wake Forest University

Programs

Campus Champions

Roles

student-facilitator, mentor, research computing facilitator

Sean Anderson

Expertise

administering-hpc
anaconda
bash
batch-jobs
benchmarking
+47 more tags
more people

People with Interest

Russell Hofmann

Internet2

Programs

ACCESS CSSN

Roles

mentor, cssn

Placeholder headshot

Interests

administering-hpc
cluster-support
computational-chemistry
data-analysis
data-science
+17 more tags

Lenore Martin

University of Rhoide Island

Programs

CAREERS

Roles

researcher/educator

Lenore in office

Interests

administering-hpc
ai
amber
anaconda
bioinformatics
+53 more tags

Haley Michel

Virginia Polytechnic Institute and State University

Programs

ACCESS CSSN

Roles

cssn

Placeholder headshot

Interests

charmm
computational-chemistry
gaussian
molecular-dynamics
namd
+1 more tags
more people