Molecular Simulation
Department of Chemistry,
The University of Hong Kong
As technologies demand increasing understanding and control of the microscopic world, molecular simulation is gaining more acceptance as a powerful tool to complement experimental techniques. In certain cases, molecular simulation leads experiments in finding new molecular phenomena. Monte Carlo and molecular dynamics are the two basic approaches to compute many body behaviour at the molecular level.
Tools
for Interactive Visual Learning
Molecular Dynamics Vision
Program (Build0506t.exe)
Manual (Build0506.pdf)
Module: Solid-Liquid Phase
Transition (sol_liq.pdf)
Module: Liquid-Vapour Phase
Transition (liq_vap.pdf)
Monte Carlo Program (mclj.zip)
Monte Carlo Assignment (Mcassg.doc)