UCSD Chemistry 185/285 Class

Methods in Computational Chemistry

Instructors:

Dr. Peter Taylor (San Diego Supercomputer Center) Mail |
Dr. Joakim Persson (San Diego Supercomputer Center) Mail |
Dr. Kim Baldridge (San Diego Supercomputer Center) Mail |

Chromium tricarbonyl complex

Quantum Chemistry Resources| Related Classes | Comments |

Synopsis

This course is being offered to undergraduate and graduate students with an interest in computational methods. A basic background in physical chemistry and its mathematical methods will be assumed. After a brief introduction and background in computational theory, several topics will be addressed, including molecular mechanics, semiempirical methods, and ab initio based methods of increasing elaboration. Emphasis will be placed on applications and their reliability.