materials-science

Mentors and Regional Facilitators
Name Region Skills Interests
Aya Nawano CAREERS, ACCESS CSSN
lammps
materials-science
molecular-dynamics
anaconda
bash
batch-jobs
benchmarking
c
c++
charmm
compiling
more...
Bala Desinghu CAREERS
ai
big-data
community-outreach
computational-chemistry
data-analysis
dft
image-processing
machine-learning
more...
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...
Fernando Garzon ACCESS CSSN
abstract
ai
aws
bash
batch-jobs
big-data
citation
containers
more...
ai
aws
azure
bash
batch-jobs
big-data
c
c++
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...
Justin Oelgoetz Campus Champions
abstract
affiliations
astrophysics
bash
benchmarking
c
c++
citation
more...
administering-hpc
ai
amber
astrophysics
benchmarking
c
c++
charmm
more...
Paul Rulis Campus Champions
abstract
affiliations
ai
bash
batch-jobs
c
c++
checkpoint
more...
abstract
affiliations
ai
amber
atlas
bash
batch-jobs
benchmarking
more...
Sean Anderson Campus Champions
administering-hpc
anaconda
bash
batch-jobs
benchmarking
cluster-support
community-outreach
compiling
more...
Simon Delattre
anaconda
bash
big-data
conda
data-transfer
data-wrangling
deep-learning
machine-learning
more...
bioinformatics
Swabir Silayi Campus Champions
amber
anaconda
bash
batch-jobs
benchmarking
c
c++
checkpoint
more...
administering-hpc
cluster-management
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MDAnalysis - Python library for the analysis of molecular dynamics simulations Tool computational-chemistry, materials-science, python Beginner, Intermediate, Advanced
Recommended Libraries for Cyberinfrastructure Users Developing Jupyter Notebooks Website ai, big-data, data-analysis, machine-learning, data-sharing, data-lifecycle, data-management, data-management-software, data-reproducibility, data-wrangling, github-pages, workflow, astrophysics, data-science, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, science gateway, conda, jupyterhub, python Beginner, Intermediate, Advanced
Research Software Development in JupyterLab: A Platform for Collaboration Between Scientists and RSEs Learning ai, visualization, big-data, data-analysis, deep-learning, machine-learning, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, ondemand, science gateway, c++, jupyterhub, python, r Beginner, Intermediate
Research Software Engineering Training Materials Website astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, git, training, workforce-development, programming, programming-best-practices, version-control Beginner, Intermediate, Advanced
Science Gateway Tool/Web App Template (Jupyter Notebook + ipywidgets) Learning data-analysis, github, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, ondemand, science gateway, jupyterhub, python Beginner
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