Gareth Tribello

A short introduction to the analysis of data in R

If you are looking at correlation draw a graph!

Working with frequency tables in R

Calculating the vibrational density of states from a molecular dynamics simulation

Calculating the autocorrelation function from a molecular dynamics simulation

Calculating partition functions from the Hessian matrix.

Running molecular dynamics simulations with ASE

Estimating the radial distribution function using molecular dynamics

Analysing the molecular dynamics trajectories that are generated by ASE

Using symmetry functions to analyse molecular dynamics trajectories

The behaviour of the susceptibility when systems cross a (finite sized) phase boundary

The 2D Ising model Hamiltonian

Using 2D NumPy arrays to represent the state of a 2D Ising model

Langevin dynamics in python

The velocity Verlet algorithm

Calculating the density of states

Generating all the states for a system of spins (statistical mechanics)

Calculating partition functions with python (statistical mechanics)

Calculating lattice hamiltonians with python

Queuing network simulations with queueing tool

Using queuing tool

Discrete event simulation

Estimating the stationary distribution for an M/M/1 queue by sampling

Writing python programs to sample Markov chains

Calculating the hitting times and hitting probabilities for a Markov chain using NumPy

Calculating hitting probabilities for Markov chains via sampling.

Estimating the stationary distribution for a Markov chain by sampling

Calculating hitting times for Markov chains by sampling

Using logic in python programs

Estimating transition probabilities for Markov chains by sampling