Student-led Computational Inorganic Chemistry Research in a Classroom Setting

Advanced computational inorganic methods were introduced as course-based undergraduate research experiences (CUREs) through use of the National Science Foundation’s Extreme Science and Engineering Discovery Environment (NSF XSEDE). The ORCA ab initio quantum chemistry program allowed students to conduct independent research projects following in-class lectures and tutorials. Students wrote publication-style papers and conducted peer review of classmates’ papers to learn about the full scientific process.