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Placeholder headshot Contact

Nannan Shan

Purdue University

mentor, researcher/educator, research computing facilitator, research software engineer, cssn, Affinity Group Leader, Consultant, CCMNet

Interests

ai
aws
azure
cloud-computing
containers
data-science
deep-learning
kubernetes
lmod
machine-learning
quantum-computing
reinforcement-learning
singularity

Bio

Prior to joining the RCAC team in 2022, Nannan's research area was utilizing both multiscale simulations (e.g. DFT and MD) and experiments to accelerate the functional materials discovery and innovation in the fields of surface science, catalysis and energy production and storage.

Equipped with broad scientific knowledge and hands-on experience in Chemical Engineering, Materials Science, and Chemistry, Nannan is devoting her passion to…

Prior to joining the RCAC team in 2022, Nannan's research area was utilizing both multiscale simulations (e.g. DFT and MD) and experiments to accelerate the functional materials discovery and innovation in the fields of surface science, catalysis and energy production and storage.

Equipped with broad scientific knowledge and hands-on experience in Chemical Engineering, Materials Science, and Chemistry, Nannan is devoting her passion to supporting users of RCAC community clusters and ACCESS Anvil cluster. She dedicates herself to advancing the scientific research through high performance computing (HPC) techniques with scientists at Purdue and nationwide institutions. 

Skills

abstract
ACCESS
administering-hpc
amber
anaconda
anvil
api
ase
authentication
bash
batch-jobs
benchmarking
centos
charmm
checkpoint
citation
cluster-support
computational-chemistry
cp2k
data-analysis
data-transfer
dft
documentation
environment-modules
gamess
gaussian
git
globus
gpu
gromacs
job-array
jupyterhub
lammps
license
login
materials-science
mathematica
mentorship
modules
molecular-dynamics
monte-carlo
namd
open-ondemand
parallelization
pbs
pip
professional-development
project-management
proposal-development
python
pytorch
research-grants
scaling
science-gateway
scikit-learn
sftp
slurm
spack
ssh
tensorflow
tickets
training
unix-environment
vim
visualization

Affinity Groups

Bridges-2
ACCESS RP Integration
ACCESS Support
RANCH
AI Institutes Cyberinfrastructure
FASTER
DELTA
Expanse
CCMNet Mentoring
Anvil
CSSN (Computational Science Support Network)
Jetstream-2
ACES

Funded in part by the National Science Foundation

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