In most of my research, I write my own simulations. However, for projects involving biomolecules, I tend to use software packages that can take advantage of resources like graphics processing units. I also have worked with the team that develops Gromacs on large-scale biomolecular simulation software. I was significantly involved in the development of the Copernicus software package, which efficiently distributes Gromacs simulations among heterogeneous compute resources.

When it is sufficiently presentable, I make my code available on GitHub. You can check out my library for playing with protein structures.

Demos.

2D Ising Model