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Jakob Dahl
Massachusetts Institute of Technology
julia
python
computational-chemistry
materials-science
data-science
visualization
data-analysis
Bala Desinghu
Harvard University
Rutgers University
proposal-request
ai
big-data
data-analysis
deep-learning
dft
image-processing
machine-learning
monte-carlo
neural-networks
parameter-sweeps
plotting
vectorization
visualization
random-numbers
cloud-computing
cloud-storage
github
globus
s3
sftp
data-management
data-transfer
data-sharing
optimization
parallelization
scaling
benchmarking
bioinformatics
molecular-dynamics
natural-language-processing
opencv
tensorflow
pytorch
gaussian
gromacs
computational-chemistry
data-science
materials-science
quantum-mechanics
open-ondemand
distributed-computing
unix-environment
batch-jobs
pre-emption
schedulers
bash
environment-modules
git
screen
ssh
vim
professional-development
proposal-development
research-facilitation
research-grants
software-carpentry
training
anaconda
c
c++
compiling
conda
fortran
jupyterhub
mathematica
matlab
programming
python
r
rstudio-server
scikit-learn
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
conda
cuda
fortran
jupyterhub
mpi
openmp
openmpi
programming
python
containers
dependencies
easybuild
docker
interactive-mode
pip
singularity
software-installation
Masoud Keramati
Northeastern University
allocation-management
delta
data-analysis
big-data
monte-carlo
visualization
benchmarking
amber
namd
molecular-dynamics
gromacs
computational-chemistry
biology
administering-hpc
unix-environment
batch-jobs
slurm
job-submission
bash
python
r
pip
software-installation
Alexandra Lamtyugina
University of Chicago
data-analysis
github
debugging
optimization
memory
scripting
molecular-dynamics
computational-chemistry
slurm
c++
julia
programming
programming-best-practices
python
cybersecurity
singularity
docker
big-data
profiling
benchmarking
compiling
xml
Emanuela Riglioni
Other
data-analysis
monte-carlo
machine-learning
pytorch
computational-chemistry
materials-science
particle-physics
bash
git
ssh
vim
community-outreach
project-management
python
r
anaconda
jupyterhub
compiling
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
Oriana Silva
University of North Texas
data-science
r
python
programming
programming-best-practices
project-management
training
community-outreach
citation
management
professional-development
research-facilitation
abstract
affiliations
computational-chemistry
biology
quantum-mechanics
quantum-computing
rstudio-server
scikit-learn
jupyterhub
openmp
hpc-operations
monte-carlo
data-analysis
linear-programming
machine-learning
Calloway Sutton
Indiana University
ai
cognitive-bias
computer-vision
deep-learning
generative-ai
llm
machine-learning
unsupervised-learning
supervised-learning
reinforcement-learning
nlp
neural-networks
big-data
computer-graphics
data-analysis
finite-element-analysis
dft
gis
image-processing
visualization
vectorization
random-numbers
plotting
parameter-sweeps
monte-carlo
linear-programming
aws
azure
cloud
cloud-commercial
cloud-computing
cloud-open-source
cloud-storage
cloudlab
gce
openstack
archiving
backup
cephfs
data
data-access-protocols
data-lifecycle
data-management
data-management-software
data-provenance
data-reproducibility
data-retention
data-sharing
data-transfer
github-pages
github
file-transfer
file-system
file-limit
file-formats
doi
database
data-wrangling
workflow
weka
storage
sftp
scratch
s3
quota
metadata
benchmarking
checkpoint
core-dump
cpu-bound
debugging
dmtcp
IO-issue
memory
optimization
tuning
timing-issue
scaling
performance-tuning
profiling
parallelization
arcgis
tensorflow
pytorch
openfoam
opencv
natural-language-processing
lammps
jekyll
fastx
ddocent
charmm
api
open-ondemand
pegasus
science-gateway
galaxy
administering-hpc
ansible
ceph
cgroups
cifs
cluster
cluster-management
cluster-support
comet
composable-systems
condo
configuration-automation
cpu-architecture
deployment
distributed-computing
DNS
ethernet
file-systems
gpfs
gpu
hardware
hpc-arch-and-perf
hpc-cluster-architecture
hpc-cluster-build
lustre
isilon
interconnect
infiniband
hpc-tools
htc
hpc-storage
hpc-operations
hpc-getting-started
networking
nfs
npc
nvidia
prometheus
provisioning
puppet
samba
sciencedmz
sdn
unix-environment
smb
serverless-hpc
shifter
bash
cleanup
environment-modules
git
git-lfs
modules
os
permissions
screen
scripting
ssh
tcp
x11
vm
tmux
vim
tcsh
ACCESS
ACCESS-account
ACCESS-allocations
ACCESS-credits
ACCESS-website
adding-users
affinity-group
allocations-proposal
allocations-extension
allocation-value
allocation-users
allocation-time
allocation-management
exchange-request
amie
extension
project-renewal
SU
supplement
transfer-su
centos
containers
dependencies
docker
easybuild
interactive-mode
kubernetes
library-paths
lmod
version-control
software-installation
singularity
podman
pip
nx
nomachine
openshift
netcdf
acls
cilogon
cmmc
cui
cybersecurity
data-compliance
data-security
duo
encryption
spectrum-scale
secure-data-architecture
putty
rdp
key-management
firewall
vpn
vnc
terminal-emulation-and-window-management
artificial-intelligence
computer-science
computational-chemistry
data-science
batch-jobs
core-hours
gridengine
job-accounting
job-array
job-charging
schedulers
job-sizing
job-failure
scheduling
resources
process-killed
pre-emption
pending-jobs
pbs
job-submission
lsf
slurm
anaconda
c
c++
compiling
conda
css
cuda
fortran
gcc
gui
html
julia
java
jupyterhub
mathematica
matlab
mpi
openmp
openmpi
perl
programming
programming-best-practices
xml
sql
scikit-learn
Rust
ruby
rstudio-server
react
r
python
pthreads
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