Category: Monte Carlo molecular modelling software

ToFeT is a kinetic Monte Carlo electronic model of molecular films, able to simulate the time-of-flight experiment (ToF), field-effect transistors (FeTs). As its input, ToFeT takes a description of th

Biochemical and Organic Simulation System (BOSS) is a general-purpose molecular modeling program that performs molecular mechanics calculations, Metropolis Monte Carlo statistical mechanics simulation

MOCADI is a Monte Carlo simulation program used to calculate the transport of charged particle beams--as well as fragmentation and fission products from nuclear reactions in target materials--through

This is a list of computer programs that use Monte Carlo methods for molecular modeling. * Abalone classical Hybrid MC * BOSS classical * Cassandra classical * CP2K * FEASST classical * GOMC cla

FLUKA (FLUktuierende KAskade) is a fully integrated Monte Carlo simulation package for the interaction and transport of particles and nuclei in matter.FLUKA has many applications in particle physics,

Tinker, previously stylized as TINKER, is a suite of computer software applications for molecular dynamics simulation. The codes provide a complete and general set of tools for molecular mechanics and

Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional model

CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, mater