Resumen de Integrating Computational Chemistry into the Physical Chemistry Curriculum

Lewis E. Johnson, Thomas Engel

• Relatively few undergraduate physical chemistry programs integrate molecular modeling into their quantum mechanics curriculum owing to concerns about limited access to computational facilities, the cost of software, and concerns about increasing the course material. However, modeling exercises can be integrated into an undergraduate course at a nontrivial level with minor modifications to the lecture curriculum and software that is inexpensively available to individual students. The modified curriculum was tested over a two-year period, and student reception of the new curriculum was assessed by means of end-of course surveys. Students found the added computational material to be useful and not overly difficult.