Molecular Simulation
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Overview
Subject area
CHE
Catalog Number
I5800
Course Title
Molecular Simulation
Department(s)
Description
Theory and practice of numerical techniques for the simulation ofA0 material properties and transport phenomena at the molecular level. Introduction to ab initio and empirical force fields, theoretical background on MonteA0Carlo, molecular dynamics, and related methods.A0 Intro-duction to biased and accelerated methods, simulation of fluid flows, long-range interactions, phase equilibriums and other topics of current interest.A0Exercises will emphasize computational practice, writing code for particular applications, and the analysis of numerical results.
Academic Career
Graduate
Liberal Arts
No
Credits
Minimum Units
3
Maximum Units
3
Academic Progress Units
3
Repeat For Credit
No
Components
Name
Lecture
Hours
3
Requisites
019728