This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.

Simulating Ionic Solutions Near Water Interfaces

Error propagation and statistical analysis for Markov chain Monte Carlo simulations in lattice QCD and statistical mechanics using autograd

A collection of interactive notebooks to explain concepts of quantum mechanics and related topics

Statistical Mechanics on Lattices

A package to calculate ensemble averaged waves in heterogeneous materials. The focus is on wave propagation, scattering, and reflection, from particulate and porous materials.

A python package for performing GROMACS simulation ensembles

Neural functional theory for inhomogeneous fluids - Tutorial

Prandtl-Tomlinson Model

Code for solving modified Gaussian renormalized fluctutation theory for a system of two charged plates

Code for solving modified Gaussian renormalized fluctuation theory for a single charged surface

Links to books, webpages, essays, apps, and other stuff from the internet.

Using Monte-Carlo simulated datasets, a completely transparent Boltzmann Machine trained on 1-D Ising chain data is implemented to predict model couplers in the absence of past coupler values. Methods from machine learning applied to theoretical physics are on display in this work.

Modulated automation of cluster expansion based on atomate2 and Jobflow

This Python code generates a Combinatorial Discrete Cell Complex for the slip planes arrangement in FCC and BCC lattices as a set of Adjacency and Incidence matrices

Hyper-density functional theory of soft matter

Lectures of the course of Statistical Mechanics at the University of Padova (2019/2020)

Statistical mechanical models for crack growth.

kitaev_clusters: Python package for Exact Diagonalization of the Kitaev honeycomb model. Efficient construction and diagonalization of extremely large sparse matrix Hamiltonians.

Tool to extract information from molecular dynamics trajectories