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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CI Links

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, 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
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