Molecular Modeling and Computational Chemistry

Catalog description

Computer modeling is playing an increasingly important role in chemical, biological and materials research. This course provides an overview of computational chemistry techniques including molecular mechanics, molecular dynamics, electronic structure theory and continuum medium approaches. Sufficient theoretical background is provided for students to understand the uses and limitations of each technique. An integral part of the course is hands on experience with state-of-the-art computational chemistry tools running on graphics workstations. This is the graduate equivalent of 09-563 . Students enrolled in the graduate level course will complete an additional independent project. 3 hrs. lec.