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Nov 26, 2024
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2022-2023 Undergraduate and Graduate Bulletin (with addenda)
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BI-GY 7843 Molecular Modeling and Simulation3 Credits
This course introduces principles and applications of modern molecular modeling and simulations methods, using commercial software packages on powerful computer workstations. Algorithms for visualizing and predicting structural and physical properties of molecules and molecular aggregates are taught, based on principles of quantum, classical and statistical mechanics, which are in a mathematically simplified form. Commercial software packages are applied to illustrative problems in physical chemistry, chemical engineering, biology and medicine.
Prerequisite(s): Completion of core undergraduate courses in mathematics and science (grade C or better) in CE, CM, CS, EE, ME or PH, or equivalent.
Weekly Lecture Hours: 3 | Weekly Lab Hours: 0 | Weekly Recitation Hours: 0
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