CE 530 Molecular Simulation

2/10/00


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Table of Contents

CE 530 Molecular Simulation

Monte Carlo Simulation

One-Dimensional Integrals

Monte Carlo Integration

Random Number Generation

Errors in Random vs. Methodical Sampling

Shape of High-Dimensional Regions

Shape of High-Dimensional Regions

Integrate Over a Simple Shape? 1.

Integrate Over a Simple Shape? 2.

Importance Sampling

The Importance-Sampled Integral

Generating Nonuniform Random Deviates

Choosing a Good Weighting Function

Variance in Importance Sampling Integration

Summary

Author: David A. Kofke

Email: kofke@eng.buffalo.edu

Home Page: http://www.cheme.buffalo.edu/courses/ce530

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