computational-chemistry

Mentors and Regional Facilitators
Name Region Skills Interests
Anita Orendt Campus Champions, RMACC
batch-jobs
computational-chemistry
environment-modules
gaussian
management
software-installation
Alexander Pacheco
anaconda
bash
batch-jobs
compiling
computational-chemistry
conda
condo
fortran
more...
Bala Desinghu CAREERS
ai
big-data
community-outreach
computational-chemistry
data-analysis
dft
image-processing
machine-learning
more...
Torey Battelle
administering-hpc
batch-jobs
computational-chemistry
dft
quantum-mechanics
research-facilitation
scheduling
slurm
anaconda
cluster-management
cui
interconnect
jupyterhub
machine-learning
research-grants
science gateway
more...
Ben Lynch Campus Champions
ceph
computational-chemistry
gpu
machine-learning
neural-networks
s3
Christopher Bl… Campus Champions
anaconda
aws
azure
bash
benchmarking
c
c++
cloud-commercial
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...
diana Trotman CAREERS
benchmarking
biology
cloud-open-source
cloudlab
community-outreach
computational-chemistry
cybersecurity
data-analysis
more...
benchmarking
bioinformatics
biology
cleanup
cloud-commercial
computational-chemistry
containers
cybersecurity
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...
Jonathan Lyon At-Large, Campus Champions, Kentucky, ACCESS CSSN
bash
computational-chemistry
dft
fortran
gaussian
materials-science
quantum-mechanics
bash
computational-chemistry
dft
fortran
gaussian
materials-science
modules
putty
more...
Jacob Fosso Tande Campus Champions
administering-hpc
azure
bash
c++
cluster-support
community-outreach
compiling
computational-chemistry
more...
Jason Key Campus Champions
amber
computational-chemistry
gromacs
molecular-dynamics
namd
Lisa Perez SWEETER
computational-chemistry
gaussian
molecular-dynamics
quantum-mechanics
technical-training-for-hpc
Justin Oelgoetz Campus Champions
abstract
affiliations
astrophysics
bash
benchmarking
c
c++
citation
more...
administering-hpc
ai
amber
astrophysics
benchmarking
c
c++
charmm
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
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-acount
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...
Spencer Pruitt Northeast
batch-jobs
computational-chemistry
debugging
distributed-computing
hardware
hpc-operations
hpc-storage
mpi
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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