Table of Contents
CE 530 Molecular Simulation
Review
Dynamical Properties
Macroscopic Transport Phenomena
Approaches to Evaluating Transport Properties
Mass Transfer
Interpretation
Time Correlation Function
Time Correlation Function
Velocity Autocorrelation Function
Other Transport Properties
Evaluating Time Correlation Functions
Direct Approach to TCF
Fourier Transform Approach to TCF
Coarse-Graining Approach to TCF 1.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach to TCF 2.
Coarse-Graining Approach: Resource Requirements
Summary
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Author: David A. Kofke
Email: kofke@eng.buffalo.edu
Home Page: http://www.cheme.buffalo.edu/courses/ce530
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