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Feb 05, 2025
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CHE 7120 - Molecular Simulations
In this course, students learn essential concepts involved in designing and performing molecular simulations. Core theoretical ideas underlying various molecular simulation techniques are discussed.
Requisites:
Credit Hours: 3
Repeat/Retake Information: May not be retaken.
Lecture/Lab Hours: 3.0 lecture
Grades: Eligible Grades: A-F,WP,WF,WN,FN,AU,I
Learning Outcomes:
- Students will be able to design and perform classical molecular dynamics and Monte Carlo simulations.
- Students will be able to perform thermodynamics and statistical mechanics derivations.
- Students will be able to perform free energy calculations using advanced simulation techniques.
- Students will be able to design and perform molecular simulations using state-of-the-art simulation packages.
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