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Title

Mathematical Methods for Chemists
Author

Harold Schranz
Organization: Australian National University
Department: Research School of Chemistry
Education level

College
Objectives

The goals of this course are to introduuce chemists to programming and computational mathematical methods. This is acheived by providing an introduction to FORTRAN, FORTRAN librairies, and Mathematica and following up with relevant applications in the field.
Materials

Online course notes
Description

The course content will initially focus on the essential basics of programming with some more advanced topics being introduced later. Examples and exercises will be given relating to the formal part of the mathematical methods course given previously. No prior knowledge of programming is assumed.

Topics:
  • The numerical solution of the eigenvalue problem
  • Fourier series and Fourier transforms
  • Methods for solving ordinary differential equations
  • Laplace transforms
  • Numerical differentiation and integration
  • Numerical simulation: molecular dynamics and Monte Carlo methods
Subject

*Science > Chemistry
URL

http://rsc.anu.edu.au/~harry/COURSES/mathmeth.html