C++ toolkit for post-processing molecular dynamics trajectories, with a focus on high-performance static and dynamic analyses of amorphous/glassy/polymer materials.

A boundary integral based formulation to simulate chromatin organization inside the nucleus.

Perform simple polymer dynamics calculations (polymer lengths, radius of gyration, overlap concentration, etc...)

This project implements a discretized version of exact transforms between the conformation of a polymer and the correlated active processes that drive this polymer.

Simulation of block copolymer escape dynamics using a bead-spring model with Monte Carlo and forward-flux sampling. Includes free-energy profiling via umbrella sampling and escape rate estimation from micelle cores.