quantum-mechanics

Mentors and Regional Facilitators

Name	Region	Skills	Interests
Christopher Bl…	Campus Champions	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...
Deborah Penchoff	Campus Champions	abstract ACCESS ACCESS-account adding-users affiliations ai allocation-management allocation-time more...
Daniel Sierra-Sosa	Campus Champions	ai data-analysis deep-learning image-processing machine-learning neural-networks quantum-computing quantum-mechanics	ai data-analysis deep-learning image-processing neural-networks quantum-computing quantum-mechanics
Edwin Posada	Campus Champions	administering-hpc bash batch-jobs benchmarking c c++ cluster-management cluster-support more...
Gaurav Khanna	Campus Champions, CAREERS, Northeast	astrophysics bash batch-jobs c++ cluster-support compiling cuda dependencies more...	astrophysics c c++ cuda distributed-computing fortran git hardware more...
Gil Speyer	ACCESS CSSN, RMACC, Campus Champions	bash bioinformatics c computational-chemistry conda cuda debugging fortran more...	bash c computational-chemistry cuda gpu matlab mpi nvidia more...
Jacob Fosso Tande	Campus Champions	administering-hpc azure bash c++ cluster-support community-outreach compiling computational-chemistry 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...
Thomas Langford	Campus Champions, CAREERS	big-data containers monte-carlo mpi parallelization particle-physics python quantum-mechanics more...
Lonnie Crosby	Campus Champions, ACCESS CSSN	bash benchmarking c c++ computational-chemistry containers cuda deep-learning more...
Lisa Perez	SWEETER	computational-chemistry gaussian molecular-dynamics quantum-mechanics training
Justin Oelgoetz	Campus Champions, CCMNet	abstract affiliations astrophysics bash benchmarking c c++ citation more...	administering-hpc ai amber astrophysics benchmarking c c++ charmm more...
Mark Perri	Campus Champions	computational-chemistry docker gamess jetstream namd openstack programming python more...	computational-chemistry docker gamess jupyterhub molecular-dynamics namd python quantum-mechanics
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, CCMNet	administering-hpc anaconda bash batch-jobs benchmarking cluster-support community-outreach compiling more...
Xiaoqin Huang	ACCESS CSSN	ACCESS-account ACCESS-credits adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...	ACCESS-credits ACCESS-website adding-users affinity-group allocations-extension allocations-proposal amber anaconda more...
Shaohao Chen	Northeast	ai bash batch-jobs compiling containers cuda debugging deep-learning more...
Swabir Silayi	ACCESS CSSN, CCMNet, Campus Champions	amber anaconda bash batch-jobs benchmarking c c++ checkpoint more...	administering-hpc cluster-management
Soham Pal	ACCESS CSSN, Campus Champions, CCMNet	bash c++ conda file-formats git github github-pages jupyterhub more...
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...

Users

Name	Roles	Skills	Interests
Christopher Gilbert	student facilitator	anaconda arcgis astrophysics community-outreach conda jupyterhub python quantum-mechanics more...
Chris Herdman	researcher/educator	quantum-mechanics
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...
Daniel Evans	researcher/educator	c c++ cleanup compiling file-formats git programming project-management more...
Gaurav Khanna	mentor regional facilitator researcher/educator rcf steering committee	astrophysics bash batch-jobs c++ cluster-support compiling cuda dependencies more...	astrophysics c c++ cuda distributed-computing fortran git hardware more...
Justin McKennon	researcher/educator	astrophysics machine-learning particle-physics quantum-mechanics
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...
Shaohao Chen	mentor	ai bash batch-jobs compiling containers cuda debugging deep-learning more...

Projects

Project Title	Project Institution	Project Owner	Tags	Status
Unsupervised learning of topologically ordered phases of matter	Middlebury College	Northeast Cyberteam	gpu, machine-learning, quantum-mechanics	Complete
C++/17/14 Migration of Path Integral Quantum Monte Carlo Software	University of Vermont	Adrian Del Maestro	software-installation, compiling, debugging, dependencies, performance-tuning, quantum-mechanics, programming	Complete
Using distributed computing to equilibrate Monte Carlo simulations	Middlebury College	Chris Herdman	distributed-computing, mpi, quantum-mechanics	Complete

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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
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