M

Monte Carlo

A Pythonic approach to cluster expansions

Implementation of the Field(s)supported MultiPhase kinetic Monte Carlo (FsMP/kMC) method [https://doi.org/10.1021/acs.jpcc.1c09086, https://doi.org/10.1039/D2CP03380A, https://doi.org/10.1039/D3CP03955B].

Tools to explore the Potential Energy Surface (PES) for atomic and molecular systems and generate candidate structures for the local and global minima.

Possible future directions for HepMC3

A monte carlo based solver for Worldle.

FE and FET Library Contains the FE and FET library for general use across a spectrum of applications and industries.

Supported by the ExaScale Computing Project under sub-contract 17-SC-2-SC.

SampleSpace is a cross-platform library for describing and sampling from random distributions.

Implementation of a classical Heisenberg model for arbitrary crystal structures using Metropolis MC. With isotropic exchange, single ion anisotropy (SIA) , Zeeman interaction, and two site anisotropy as energy terms.

Example Bayesian Modelling Code Accompanying the Paper "Application of Bayesian Graphs to SN Ia Data Analysis and Compression"

Monte Carlo methods to estimate the average distance between randomly chosen points in a region