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
BOSS (molecular mechanics)
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
List of software for Monte Carlo molecular modeling
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 (software)
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 (chemistry software)
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