CBE 422 – Molecular Modeling Methods

Semester: 

Spring

Offered: 

2019

This course offers an introduction to computational chemistry and molecular simulation methods. Computational chemistry involves using quantum mechanical models to obtain the electronic structure of atoms and molecules. Monte Carlo and Molecular Dynamics methods use input from quantum chemistry and empirical potentials to obtain equilibrium and non-equilibrium properties of fluids and materials. As computer power continues its exponential growth, these methods find increasing applications in engineering, chemistry, physics and biology.