Mathematica Tutorials

  1. 1.Introduction

        Fasten your seatbelt and get ready for Mathematica! This short tutorial introduces you with how to do basic calculation and plotting in Mathematica. Topics will be reviewed later.

  1. 2.In-depth Introduction and Taylor Series

        This notebook reviews important points of Mathematica: function, plotting, equation solving, integration and differentiation. A special emphasis is given to Taylor Series, the old dear friend of Physical Chemistry.

  1. 3.Troubleshooting

        This notebook highlights some common errors one can make in mathematica, and directs the users to useful sites to trouble shoot. No more panicking!

  1. 4.Plot Multi-variable Functions

        A special treatment of multi-variable functions. The final graphs look beautiful!

  1. 5.Loop and Data Fitting

        In chemistry we are often thrown with a bunch of data and it can be hectic to figure out their relations. In this notebook,we go through how to input data to lists and tables (essentially vectors and matrices). We will also see how to fit them in lines.

  1. 6.A complicated function?

        With all the knowledge, you are now ready for the challenge of more complicated functions!

  1. 7.Thermodynamics in Application

        Real thermodynamics problems. An example is given in Ammonia Synthesis Reaction, and a problem of Coal Gasification is for you to try! Problems are extracted from Mathematica book.

  1. 8.Advanced Introduction

        This is an advanced introduction and an overview of Mathematica. One important feature is the introduction of matrix and its determinant. Please look at that even if you decide to skip the introduction : )

  1. 9.Molecular Vibrations A

        Visualize the vibration of a triatomic molecule : ) Originally developed by Hannes Jonsse and Susan Rempe at University of Washington.

  1. 10.Molecular Vibrations B

        Use matrix to calculate the vibration of a triatomic molecule : ) Originally developed by Hannes Jonsse and Susan Rempe at University of Washington.

Below is a list of 10 tutorials of Mathematica for Physical Chemistry. It includes both basic introduction and advanced examples. The first seven are designed for the course Chemistry 308 Thermodynamics at Mount Holyoke College. 8-10 are designed for the course Chemistry 325 Atomic and Molecular structures.  But please choose any file suited to your own level. Simply right click on the link and save as a downloaded file. Enjoy!