Table of Contents
Introduction to Molecular Dynamics
Molecular Dynamics
Physics of MD and MC
MC/MD Introduction Cont’d.
PPT Slide
Ergodic hypothesis
Monte Carlo Method
MD Introduction Cont’d
MD Introduction Cont’d
Three Interaction Models
Models
Potential Energy
Potential Energy Definitions
Hooke’s Law Model
1-D Hooke’s Law
Hooke’s Law -- A Chain Of Particles
A Chain Continued
Further Simplifications
Equations Of Motion
Numerical Solutions
Computer Program
Verlet’s Method
Starting Verlet and The Summed Form
Comparison of Summed and Unsummed Forms
Exact Solutions to HL Model
Exact Solution--Multiple Molecules
Solutions To The Vector System
UNM Notes on Lab Chapter 8
Lab 8 Exercises
Purpose of Lab Chapters 8 and 9
Notation
Configuration of Three Particles
Config. Of 3 particles cont’d.
Config. Of 3 particles cont’d.
Config. Of 3 particles cont’d.
Config. Of 3 particles cont’d.
Config. Of 3 particles cont’d.
Monte Carlo Method Cont’d.
Monte Carlo Method Cont’d.
Monte Carlo Method Cont’d.
Monte Carlo Method cont’d.
Monte Carlo Method Cont’d.
Monte Carlo Method Cont’d
Monte Carlo Method Cont’d
Monte Carlo Method Cont’d
|
Author: Dr. Andrew C. Pineda
Email: acpineda@arc.unm.edu
Home Page: http://www.arc.unm.edu/~acpineda/CS471.html
|