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Bala Desinghu
Harvard University
Rutgers University
proposal-request
ai
big-data
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image-processing
machine-learning
monte-carlo
neural-networks
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github
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s3
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bioinformatics
molecular-dynamics
natural-language-processing
opencv
tensorflow
pytorch
gaussian
gromacs
computational-chemistry
data-science
materials-science
quantum-mechanics
open-ondemand
distributed-computing
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bash
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git
screen
ssh
vim
professional-development
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rstudio-server
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putty
vnc
vpn
containers
dependencies
docker
pip
podman
singularity
software-installation
quantum-computing
api
job-array
slurm
sge
pbs
community-outreach
Russell Hofmann
Internet2
data-analysis
machine-learning
dft
scaling
pytorch
gromacs
gaussian
molecular-dynamics
computational-chemistry
data-science
genomics
research-facilitation
python
spark
spack
kubernetes
training
Xiaoqin Huang
Rice University
ACCESS-account
ACCESS-credits
adding-users
affinity-group
allocations-extension
allocations-proposal
anvil
bridges-2
darwin
delta
documentation
expanse
rockfish
stampede2
transfer-su
xdmod
tickets
data-analysis
deep-learning
dft
machine-learning
neural-networks
openstack
globus
github
benchmarking
checkpoint
debugging
memory
optimization
parallelization
performance-tuning
profiling
scaling
scripting
amber
bioinformatics
charmm
gamess
gaussian
gromacs
lammps
molecular-dynamics
namd
pytorch
tensorflow
biology
computational-chemistry
data-science
genomics
quantum-mechanics
open-ondemand
cgroups
condo
gpu
nvidia
batch-jobs
schedulers
job-array
bash
git
pthreads
ssh
proposal-development
research-facilitation
research-grants
community-outreach
anaconda
c
c++
compiling
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cuda
fortran
jupyterhub
mpi
openmp
openmpi
programming
python
containers
dependencies
easybuild
docker
interactive-mode
pip
singularity
software-installation
Jonathan Lyon
Murray State University
Assistant Professor
dft
computational-chemistry
gaussian
quantum-mechanics
fortran
bash
materials-science
Nannan Shan
Purdue University
Senior Computational Scientist
computational-chemistry
materials-science
gamess
gaussian
gromacs
lammps
molecular-dynamics
namd
pytorch
tensorflow
ase
cp2k
charmm
amber
documentation
license
login
tickets
authentication
data-analysis
monte-carlo
visualization
data-transfer
globus
sftp
benchmarking
checkpoint
scaling
parallelization
open-ondemand
science-gateway
api
administering-hpc
cluster-support
gpu
unix-environment
bash
environment-modules
git
modules
ssh
vim
ACCESS
anvil
abstract
citation
mentorship
professional-development
project-management
proposal-development
research-grants
training
anaconda
jupyterhub
mathematica
python
scikit-learn
batch-jobs
slurm
job-array
pbs
centos
spack
dft
pip
Swabir Silayi
George Mason University
data-analysis
data-wrangling
data-transfer
stata
spss
benchmarking
training
software-carpentry
computational-chemistry
dft
gamess
gaussian
molecular-dynamics
amber
gromacs
lammps
namd
quantum-mechanics
machine-learning
pytorch
scikit-learn
materials-science
git
github
github-pages
programming
programming-best-practices
cleanup
c
c++
fortran
java
python
r
sql
resources
research-facilitation
xsede
scheduling
job-array
pending-jobs
pre-emption
anaconda
bash
batch-jobs
checkpoint
dmtcp
containers
docker
singularity
distributed-computing
environment-modules
lmod
modules
matlab
openmp
scripting
cluster-support
file-transfer
globus
schedulers
slurm
cuda
parallelization
vectorization
jupyterhub
mpi
spack
unix-environment
vim
sas
Gil Speyer
Arizona State University
Scientific Software Engineer
parallelization
optimization
memory
profiling
scaling
scripting
debugging
bioinformatics
computational-chemistry
quantum-mechanics
bash
training
conda
cuda
c
fortran
matlab
r
gpu
Buck Taylor
University of Portland
gaussian
computational-chemistry
abstract
training
Kesong Yang
University of California, San Diego
expanse
materials-science
computational-chemistry
python
c++
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