CBE 524 Molecular Modeling and Simulation

Credits: 3

Course covers topics related to computational quantum chemistry, statistical mechanics, and molecular simulation. Emphasis is placed on the use of existing methods and programs to determine thermodynamic and transport properties as well as reaction kinetic constants and mechanisms. Applications in biological systems, materials, phase equilibrium, and combustion will be discussed. Discussion of the benefits and limitations of computer simulations will accompany each course topic.

Notes: This course is cross-listed with CBE 424.

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