@inbook{31e1a3367214486da78b5db27691b27e,
title = "Computational Chemistry as a Course for Students Majoring in the Sciences",
abstract = "Computational Chemistry was a senior level undergraduate course offered as an elective for students in science-related majors where they engaged in multiple atomistic level calculations throughout the semester, connecting the properties of the physical systems studied with the code behind the interface. This course was designed to serve students with different needs by anchoring computational chemistry in the coding experience and by addressing several theoretical approaches that could be used in the students' fields of choice. While learning how to code, there were also user-friendly computational packages available to perform calculations on molecules with molecular mechanics and electronic structure calculations, and to explore protein folding with molecular dynamics as a game. The computational chemistry experiences offered earlier in the students' careers and their connection to this course are also discussed.",
author = "Lorena Tribe",
note = "Publisher Copyright: {\textcopyright} 2019 American Chemical Society.",
year = "2019",
doi = "10.1021/bk-2019-1312.ch013",
language = "English (US)",
series = "ACS Symposium Series",
publisher = "American Chemical Society",
pages = "183--194",
editor = "Alexander Grushow and Reeves, {Melissa S.}",
booktitle = "Using Computational Methods to Teach Chemical Principles",
address = "United States",
}