Description: Lecture, four hours; laboratory, four hours. Preparation: programming experience in either BASIC, Fortran, C, C++, Java, or Pascal. Requisites: courses 110A, 113A, Mathematics 33A. Theoretical, numerical, and programming tools for constructing new chemical applications, including simple force fields and resulting statistical mechanics for simple molecules, simple ab-initio methods for organic molecules and nanotubes, and classical dynamics and spectroscopy. Concurrently scheduled with course C126A. S/U or letter grading.

Units: 4.0