Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences Software Institute. Issue 20 (4th July 2020)

• Record Type: Journal Article
• Authors: McDonald, Ashley Ringer; Nash, Jessica A.; Nerenberg, Paul S.; Ball, K. Aurelia; Sode, Olaseni; Foley, Jonathon J.; Windus, Theresa L.; Crawford, T. Daniel
• Other Names: Shields George guestEditor.
• Is Part Of: International journal of quantum chemistry. Volume 120:Issue 20(2020)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2020-07-04
• Subjects: Jupyter notebook -- molecular mechanics education -- programming education -- python -- quantum mechanics education; Quantum chemistry -- Periodicals; 541.28
• DOI: 10.1002/qua.26359
• Languages: English
• ISSNs: 0020-7608

Abstract

Abstract: The Molecular Sciences Software Institute (MolSSI) is an National Science Foundation (NSF) funded institute that focuses on improving software, education, and training in the computational molecular sciences. Through a collaboration with the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY), the MolSSI has developed resources for undergraduate and other early career students to lay an educational foundation for the next generation of computational molecular scientists. The resources focus on introducing best practices in software engineering to students from the very start to make their software more useable, maintainable, and reproducible. Abstract : The Molecular Sciences Software Institute (MolSSI) is an NSF‐funded institute that focuses on improving software, education, and training the computational molecular sciences. Through a collaboration with the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY), the Institute has developed resources for undergraduate and other early career students to lay an educational foundation for the next generation of computational molecular scientists.