09-560 Molecular Modeling and Computational Chemistry Units: 12.0 Department: Chemistry Prerequisites: (15-113 or 15-200) and 09-344 and 09-345 Related URLs: http://www.chem.cmu.edu/ 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. 3 hrs. lec.

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