MolSSI Education Publications


  1. Teaching Programming across the Chemistry Curriculum; ACS Symposium Series
    Programming and computational science is an essential part of chemistry, yet some curricula still do not prioritize its inclusion. This work contains a collection of strategies, activities, and resources available to incorporate programming into all levels of the chemistry curriculum, with a focus on how the programming learning objectives are integrated with chemistry learning objectives. Chapters highlight best practices in software development, emphasize their importance to the future of computational molecular sciences, and describe challenges instructors might face in implementing programming in their own curriculum.

Journal Articles

  1. MolSSI Education: Empowering the Next Generation of Computational Molecular Scientists; Computing in Science and Engineering, Jessica A. Nash, Mohammad Mostafanejad, T. Daniel Crawford, Ashley Ringer McDonald, 2022-04-03, 10.22541/au.164910777.74730983/v2
  2. Free and open source software for computational chemistry education; WIREs Computational Molecular Science, Susi Lehtola, Antti J. Karttunen, 2022-03-23, 10.1002/wcms.1610
  3. Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences Software Institute; International Journal of Quantum Chemistry, Ashley Ringer McDonald,Jessica A. Nash,Paul S. Nerenberg,K. Aurelia Ball,Olaseni Sode,Jonathon J. Foley IV,Theresa L. Windus,T. Daniel Crawford, 2020-07-04, 10.1002/qua.26359