CHEM 596
Spring 2016 not offered
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| Crosslisting:
CHEM 396 |
The theory behind molecular modeling techniques will be discussed, along with hands-on experience using HyperChem. Techniques such as Energy Minimization, Monte Carlo, molecular dynamics, Brownian dynamics and quantum simulations will be discussed in detail. Relevant statistical mechanical concepts will be reviewed. Algorithms, implementations, limitations and problems associated with existing modeling techniques will then be examined. Theory and implementation of selected free energy simulation techniques will be discussed. Hands-on session using HyperChem on a 486-PC will involve direct application of techniques such as performing EM on a molecule of choice. |
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| Credit: 1 |
Gen Ed Area Dept:
NSM CHEM |
| Course Format: Lecture / Discussion | Grading Mode: Graded |
| Level: GRAD |
Prerequisites: CHEM337 |
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Fulfills a Requirement for: None |
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