Code for numerical experiments using Langevin Dynamics with constraints

interactive Trajectory Comparison

MD simulation for a coarse grained DNA model, parallelized by OpenMP

Understanding Molecular Simulation 2016, University of Amsterdam. Project K.4 Multiple-Time-Step Integrators from the book "Understanding Molecular Simulation" by Daan Frenkel & Berend Smit

Seminars Computational Science 2016, University of Amsterdam. Slides for the presentation on the paper "Interactive Molecular Dynamics" by professor Daniel V. Schroeder

Molecular modelling of NH4F nanoclusters

Simple molecular dynamics integrator written from scratch in C++.

course project for HPPC

Gromacs local stress code forked from https://bitbucket.org/mdstresslib/gromacs-ls-4.5.5

Calculate position-dependent diffusion coefficients in one and two dimensions from collective variables trajectories.

A JavaFX application that assists the user for perfoming forcefield parameters optimisation by using Quantum Chemistry and Molecular Dynamics software

Calculate critical points from monte carlo or molecular dynamics simulations

Simulation of molecular dynamics of AB+C type reactions.

Molecular dynamics with python

Molecular Dynamics Framework