hard-spheres

The Density Functional Theory for Electrolyte Solutions

A python implementation of the Fundamental Measure Theory for hard-sphere mixture in classical Density Functional Theory

Implementation of a nested sampling algorithm taking advantage of David Quigley's hs_alkane package.

Hard sphere monte carlo simulations in C++

Python/C++ toolkit for 3D hard-sphere systems: Percus–Yevick correlations, RSA packing, Metropolis Monte Carlo, and structure-aware scattering.

Simulating hard spheres in two dimensions using event driven molecular dynamics and visualizing rotational symmetry using psi-6.

Molecular dynamics simulations of hard disks

Graph-theoretical cluster algorithm for clusters of directly connected hard spheres. Sampling based on a Markov-Chain-Monte-Carlo method.

Numerical simulation class project at ESPCI

A fast, non-reversible Event-Chain Monte Carlo (ECMC) implementation for simulating Hard Sphere (3D) and Hard Disk (2D) systems. Features optimized collision detection, structural analysis (Q_6, Minkowski tensors), and tools for investigating Kosterlitz-Thouless transitions and sedimentation.

Hard-sphere gas simulation in Python with fixed-timestep and event-driven engines, tested against kinetic theory: Maxwell-Boltzmann, Carnahan-Starling equation of state, H-theorem, equipartition and Brownian motion.

Hard Sphere Monte Carlo Simulation