The following is an ever-growing list of tutorials I have written for specific Mathematica™ skills that either help with using the packages I have written or are generally useful in the context of using Mathematica™ for chemistry-related problems. I am happy to take requests!

There are many wonderful Mathematica™ resources on the Internet, and the built-in and online documentation and tutorials provided by Wolfram are generally spectacular. With these tutorials I am not trying to replace those resources, nor am I trying to imply that my explanations are better than theirs. To the contrary, their explanations are likely to be more comprehensive and more accurate than mine.

The difference in my tutorials is the target audience. I am writing these tutorials for chemists, and in particular chemistry students, who often have little-to-no experience writing computer programs, and who desire to be up-and-running with Mathematica™ to solve chemistry problems as quickly as possible. These materials started as supplementary information that I provided my physical chemistry students each week to accompany their homework assignments, and thus were designed to give those students a just-in-time introduction to the skills they would need to solve that week’s problem set.

• Introduction to Mathematica
  • Understanding the Interface
  • Understanding the Kernel
  • Set, SetDelayed, Equals, Rule, and RuleDelayed
  • Greek Letters, Specialty Symbols, and Mathematical Typesetting
  • Parentheses, Brackets, and Braces
  • Lists
  • Defining Functions
  • Two-Dimensional Plots
  • An Extended Example: Harmonic Oscillator
  • Interactivity: Manipulate
  • Working with Units
  • Calculus
  • Operator Notation
  • Three-Dimensional Plots
• Installing and Loading Packages