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Mathematical Methods for Chemists
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| Organization: | Australian National University |
| Department: | Research School of Chemistry |
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College
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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.
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Online course notes
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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
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