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 course I can count towards coursework requirements for chemistry PhD candidates. 3 hrs. lec. Prerequisites: 09-344 or 09-347 or 09-214 or 09-345