materials-science

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Aya Nawano	CAREERS, ACCESS CSSN, Open OnDemand	lammps materials-science molecular-dynamics	anaconda bash batch-jobs benchmarking c c++ charmm compiling more...
Andres Ortiz Almazo	Campus Champions	administering-hpc ansible aws backup bash batch-jobs benchmarking c++ more...
Christopher Bl…		anaconda aws azure bash benchmarking c c++ cloud-commercial more...
Bala 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...
David Liu	CCMNet, ACCESS CSSN	abstract ACCESS ACCESS-account ACCESS-allocations account administering-hpc affiliations ai more...	ai cognitive-bias computer-vision deep-learning generative-ai llm machine-learning NAIRR-pilot more...
Ahmed Elrashidy	Campus Champions	ai bash computer-vision conda cp2k deep-learning generative-ai image-processing more...	anaconda computational-chemistry computer-vision condensed-matter data-science deep-learning generative-ai jupyterhub 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...
Od Odbadrakh	ACCESS CSSN	ACCESS ACCESS-account ACCESS-allocations account affinity-group ai archiving bash more...	ACCESS account ai archiving bash batch-jobs benchmarking c more...
Marcus Bond	Great Plains, Campus Champions, CCMNet	bash centos computational-chemistry dft fortran gamess materials-science mentorship more...	atlas c gaussian gromacs hpc-cluster-architecture hpc-cluster-build hpc-getting-started hpc-operations more...
Nandan Tandon	CCMNet, Campus Champions	ACCESS ACCESS-account ACCESS-allocations ACCESS-credits ACCESS-website adding-users bash computational-chemistry more...	ACCESS allocations-proposal campus-champions materials-science professional-development research-facilitation training workforce-development
Nannan Shan	CCMNet, ACCESS CSSN	abstract ACCESS administering-hpc amber anaconda anvil api ase more...	ai aws azure cloud-computing containers data-science deep-learning kubernetes more...
Justin Oelgoetz	Campus Champions, CCMNet	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...
Swabir Silayi	ACCESS CSSN, CCMNet, Campus Champions	amber anaconda bash batch-jobs benchmarking c c++ checkpoint more...	administering-hpc cluster-management
Simon Delattre		anaconda bash big-data conda data-transfer data-wrangling deep-learning machine-learning more...	bioinformatics
Torey Battelle	Campus Champions, CCMNet	administering-hpc batch-jobs computational-chemistry dft environment-modules fortran lmod materials-science more...	administering-hpc anaconda benchmarking cluster-management computational-chemistry cui dft environment-modules more...
Uthpala Herath	ACCESS CSSN, Campus Champions	ACCESS administering-hpc affiliations ai anaconda api artificial-intelligence automation more...	ACCESS administering-hpc affiliations ai anaconda api artificial-intelligence arts more...

Users

Name	Roles	Skills	Interests
Aya Nawano	rcf	lammps materials-science molecular-dynamics	anaconda bash batch-jobs benchmarking c c++ charmm compiling more...
Bala Desinghu	mentor researcher/educator rcf	ai anaconda api bash batch-jobs benchmarking big-data bioinformatics more...	affinity-group ai allocations-proposal amber anaconda archiving backup bash more...
Jonathan Lyon	mentor researcher/educator	bash computational-chemistry dft fortran gaussian materials-science quantum-mechanics	bash computational-chemistry dft fortran gaussian materials-science modules putty more...
Lenore Martin	researcher/educator	administering-hpc amber anaconda backup bash bioinformatics biology charmm more...	administering-hpc ai amber anaconda bioinformatics biology charmm community-outreach more...
Parameshwaran …	student facilitator	abaqus anaconda api artificial-intelligence bash batch-jobs c++ comsol more...	abaqus bash batch-jobs big-data comsol data-science deep-learning environment-modules more...
Sanguthevar Ra…	researcher/educator	ai big-data bioinformatics biology computational-chemistry data-analysis data-science deep-learning more...
Xuejing Wang	student facilitator	arcgis finite-element-analysis git materials-science python r

Projects

Project Title	Project Institution	Project Owner	Tags	Status
Computational Simulation of One-Dimensional Porous Polymers	The University at Albany, SUNY	Jeremy Feldblyum	computational-chemistry, materials-science, monte-carlo	In Progress

Blog Entries

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Organizations

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ERN

Website

https://www.ernrp.org

big-data data-access-protocols data-compliance data-management data-analysis

Affinity Groups

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Announcements

Title	Date
Ookami Webinar	02/14/24
Open Call: Minisymposia for PASC24	10/05/23

Upcoming Events & Trainings

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Topics from Ask.CI

Knowledge Base Resources

Title	Category	Tags	Skill Level
MDAnalysis - Python library for the analysis of molecular dynamics simulations	Tool	computational-chemistry, materials-science, python	Beginner, Intermediate, Advanced
OnShape FeatureScripts: Custom features for everyone	Tool	documentation, materials-science, particle-physics	Intermediate, Advanced