Programming examples from General Chemistry in Wolfram language

This notebook provides examples of chemistry oriented programming exercises that have been used in
the author’s Introduction to Scientific Computing course at Wagner College. at Wagner College. The
course provides students with an introduction to programming in the Wolfram language (Mathematica)
and serves to fulfill the general education requirement of intensive technology in the newly established
curriculum. Students develop competency in programming with examples that are drawn from the first-
year Chemistry curriculum. They develop their problem-solving skills by writing small programs that
reinforce and extend their understanding of chemical principles. These examples incorporate basic
programming elements such as iteration, modular functions, arrays, and Boolean logic. Students also
learn procedural and functional programming in the Wolfram language and engage in projects that
utilize chemistry domain knowledge and programming elements learned in the course. This course has
served as an efficient recruitment mechanism for the author’s research group and the Chemistry
program.