Computational chemistry instructional activities are often based around students running chemical simulations via a graphical user interface (GUI). GUI-based activities offer many advantages, as they enable students to run chemical simulations with a few mouse clicks. Although these activities are excellent for introducing students to the…

Scientific computing and computer literacy are increasingly important skills for chemistry students to learn, but despite this need, there is an absence of chemistry-specific texts available for teaching the subject. This article introduces a freely available textbook released under a Creative Commons license for use in an undergraduate scientific…