Introduction

Reaction Network Monte Carlo (RNMC) is a collection of programs for kinetic Monte Carlo (kMC) simulation of physical systems heavily based on SPPARKS. RNMC is designed to run large numbers of simulations of a fixed system in parallel. The project consists of three kMC modules for different domains which use core code for shared processes, for example IO, threading logic and model independent simulation logic.

Three Modules

• GMC - Gillespie Monte Carlo: Implementation of Gillespie’s next reaction simulator. GMC is able to run simulations of reaction networks with hundreds of millions of reactions.
• NPMC - Nano Particle Monte Carlo: A three dimensional statistical field theory simulator which supports one- and two-site interactions. NPMC is useful for simulating nano particles.
• LGMC - Lattice Gillespie Monte Carlo: A kMC implementation coupling a homogeneous (Gillespie-like) region with a lattice, enabling simulations with reactions occurring in multiple phases and capable of electrochemical reactions.

Contributing

RNMC is hosted on GitHub. Users are encouraged to fork the repository and submit features via pull request. You can also suggest features and document bugs through the issues page.

Additional details for contributors are provided on our guide for contributors.