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grand-canonical-monte-carlo

Here are 5 public repositories matching this topic...

GOMC-WSU / GOMC

GOMC - GPU Optimized Monte Carlo is a parallel molecular simulation code designed for high-performance simulation of large systems

gpu monte-carlo openmp cuda surface-tension monte-carlo-simulation free-energy adsorption grand-canonical-monte-carlo phase-equilibrium gibbs-ensemble

Updated Dec 13, 2024
C++

simongravelle / GOMC-inputs

Input script for Monte Carlo (GCMC) simulations

inputs lammps monte-carlo-simulation adsorption grand-canonical-monte-carlo microporous

Updated Sep 5, 2024
Jupyter Notebook

CatChenal / mcce3.5

biophysics continuum-electrostatics equilibrium-constants grand-canonical-monte-carlo

Updated Aug 11, 2016
Smarty

gitesei / faunus

A Framework for Metropolis Monte Carlo Simulation of Molecular Systems http://mlund.github.io/faunus

statistical-mechanics monte-carlo-simulations grand-canonical-monte-carlo wang-landau-algorithm

Updated Mar 29, 2021
C++

evenmn / avbmc

Monte Carlo package for simulating atoms interacting with non-bonded potentials

python monte-carlo metropolis-monte-carlo monte-carlo-simulation umbrella-sampling grand-canonical-monte-carlo avbmc stillinger-criterion water-potential

Updated Apr 26, 2024
C++

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