materials-science

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Aya Nawano	CAREERS, ACCESS CSSN, 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	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...
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...

Organizations

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ERN

Website

https://www.ernrp.org

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

Affinity Groups

There are no Affinity Groups associated with this topic. View All Affinity Groups.

Announcements

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

Upcoming Events & Trainings

No events or trainings are currently scheduled.

Topics from Ask.CI

Knowledge Base Resources

Title	Category	Tags	Skill Level
Awesome Jupyter Widgets (for building interactive scientific workflows or science gateway tools)	Learning	ai, computer-graphics, plotting, visualization, big-data, data-analysis, deep-learning, image-processing, machine-learning, monte-carlo, neural-networks, data-sharing, data-lifecycle, data-management, data-management-software, data-reproducibility, github, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, open-ondemand, science-gateway, c++, jupyterhub, python	Beginner, Intermediate, Advanced
How the Little Jupyter Notebook Became a Web App: Managing Increasing Complexity with nbdev	Learning	data-sharing, data-management-software, data-reproducibility, github, workflow, astrophysics, data-science, novel-accelerators, computational-chemistry, genomics, materials-science, gravitational-waves, oceanography, particle-physics, physiology, psychology, quantum-computing, quantum-mechanics, biology, science-gateway, software-carpentry, jupyterhub, programming, python	Beginner, Intermediate, Advanced
MDAnalysis - Python library for the analysis of molecular dynamics simulations	Tool	computational-chemistry, materials-science, python	Beginner, Intermediate, Advanced

People with Expertise

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People with Interest

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