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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
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