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=**I-572 Molecular Modeling and Computational Chemistry**= =**Kevin Gilbert (gilbert@indiana.edu)**=

I-572 is the survey class in Molecular Modeling and Computational Chemistry for the [|Cheminformatics Programs at Indiana University School of Informatics]. We are making all of the materials for the class available online through this wiki, under a //share-alike noncommercial// [|creative commons] license. These materials will be uploaded during the fall 2010 semester and refined each year. You are welcome to use these materials for any non-commercial educational purpose so long as they are properly attributed, and any derivative materials are made available under the same license. This wiki also serves as a meeting point for students taking the class at Indiana University and by Web Conferencing every fall.

=Information for Fall 2010 class participants= For the fall semester of 2010, the class is scheduled to meet in Informatics West 105 from 2.30-3.45 on Tuesdays and Thursdays. Video: http://breeze.iu.edu/cheminfo1

Topics:

Models Statistical Mechanics, Thermodynamics and Sampling Forces Quantum Mechanics Molecular Mechanics Optimization Methods Zero derivative First and Second Derivative Sampling Conformational Space Small molecules - stochastic methods Large molecules - MD and MC