Argon Module: Part 1
Introduction to VMD and NAMD
Background information
The assignment
Instructions
Plotting the results
Class Discussion Points
Alternative implementation on the HPC

Argon Module: Part 2
Monte Carlo and Molecular Dynamics analysis of a box of argon atoms
Background information
Instructions
Comparing output

Water Module
Prelude: Water dimer
Assignment
Option 1: Molecular dynamics simulation of water
Option 1: Analysis of the results
Option 2: Monte Carlo simulation of water box

Free Energy Perturbation Module
The solvation energy of ethane and methanol
The solvation energy of group IIA cations
Background Article for Group IIA FEP Calculation

Reactive Canonical Monte Carlo
The haber process

Quench dynamics Module
Setting up the calculation
Analysis of the output
