Molecular Dynamics Chapter 2. Molecular Dynamics in Various ...

Molecular Dynamics Chapter 2.1
Basic Statistical Mechanics
Simple example: (NVE)
Two state potential energy function: E = (0, E 0 , E 1 , E 0 + E 1 ) for two recognizable
particles. Total energy E 0 + E 1
E 0 + E 1
E 1
4
E 0
0
Ω =
s
=
k
ln 4
k
= 1.38E
−
23