Topic: "kinetic-monte-carlo"
leetmaa/KMCLib
A kinetic Monte Carlo Python/C++ library.
Language: Python - Size: 2.49 MB - Last synced at: 3 months ago - Pushed at: over 1 year ago - Stars: 131 - Forks: 54
MikeHeiber/Excimontec
Excimontec is an open-source KMC simulation software package for modeling the optoelectronic processes in organic semiconductor materials and devices, such as OPVs, OLEDs, and more.
Language: C++ - Size: 13.7 MB - Last synced at: 3 days ago - Pushed at: almost 3 years ago - Stars: 35 - Forks: 13
bjmorgan/lattice_mc
Lattice gas Monte Carlo simulation code
Language: Python - Size: 1.12 MB - Last synced at: 3 days ago - Pushed at: about 5 years ago - Stars: 33 - Forks: 8
MMonCa/MMonCa
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
Language: C++ - Size: 7.14 MB - Last synced at: 4 days ago - Pushed at: 4 days ago - Stars: 28 - Forks: 12
VlachosGroup/Intro-to-KMC
Introduction to kinetic Monte Carlo (kMC) Simulations with Examples in Jupyter Notebooks
Language: Jupyter Notebook - Size: 27.1 MB - Last synced at: about 2 months ago - Pushed at: almost 6 years ago - Stars: 26 - Forks: 7
danieljsharpe/DISCOTRESS
🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains
Language: C++ - Size: 4.35 MB - Last synced at: 4 months ago - Pushed at: about 4 years ago - Stars: 25 - Forks: 5
kmcos/kmcos
Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
Language: Fortran - Size: 29.6 MB - Last synced at: about 22 hours ago - Pushed at: about 1 month ago - Stars: 23 - Forks: 18
MikeHeiber/KMC_Lattice
A lightweight, object-oriented C++ library that contains a general framework for creating custom kinetic Monte Carlo simulation software tools.
Language: C++ - Size: 1.19 MB - Last synced at: 3 days ago - Pushed at: almost 5 years ago - Stars: 21 - Forks: 8
VlachosGroup/Multiscale-KMC
Kinetic Monte Carlo with multiple time scales and sensitivity analysis
Language: C++ - Size: 430 KB - Last synced at: over 2 years ago - Pushed at: almost 3 years ago - Stars: 20 - Forks: 7
graeter-group/kimmdy
Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
Language: Python - Size: 51.1 MB - Last synced at: 11 days ago - Pushed at: 12 days ago - Stars: 11 - Forks: 3
ConorWilliams/openFLY
The open framework for on-the-fly off-lattice kinetic Monte Carlo simulations.
Language: C++ - Size: 23.8 MB - Last synced at: 3 days ago - Pushed at: over 1 year ago - Stars: 11 - Forks: 5
MulSKIPS/MulSKIPS
A Kinetic Monte Carlo super-Lattice code designed to simulate with atomic resolution the kinetics of processes (e.g., PVD, CVD, laser annealing) involving elements, alloys and compounds characterized by the sp3 bond symmetry.
Language: Fortran - Size: 9.61 MB - Last synced at: 3 months ago - Pushed at: 3 months ago - Stars: 9 - Forks: 6
LiuGaoyong/awesome-kmc
一些比较好用的kinetic monte carlo代码（添加Python3-wrapper）
Language: Python - Size: 4.92 MB - Last synced at: 6 days ago - Pushed at: over 3 years ago - Stars: 9 - Forks: 1
vpasumarthi/PyCD
Open-source, cross-platform application supporting lattice-based kinetic Monte Carlo simulations in crystalline systems
Language: Python - Size: 4.36 MB - Last synced at: about 1 month ago - Pushed at: about 1 month ago - Stars: 7 - Forks: 2
hprats/ZacrosTools
Versatile toolkit designed to simplify the preparation and analysis of Kinetic Monte Carlo (KMC) simulations with Zacros.
Language: Python - Size: 134 MB - Last synced at: 8 days ago - Pushed at: 9 days ago - Stars: 6 - Forks: 2
emartineznunez/AutoMeKin2020
Automated discovery of reaction Mechanisms and Kinetics
Language: Shell - Size: 17.9 MB - Last synced at: over 1 year ago - Pushed at: over 1 year ago - Stars: 6 - Forks: 2
VlachosGroup/Pdn-CO-Dynamics
Lattice Kinetic Monte Carlo (KMC) Simulations for Subnanometer Pdn clusters Dynamics under a pressure of CO.
Language: Python - Size: 765 MB - Last synced at: about 2 months ago - Pushed at: almost 4 years ago - Stars: 6 - Forks: 1
hegoimanzano/KIMERA
KIMERA: A Kinetic Monte Carlo code for Mineral Dissolution
Language: C++ - Size: 3.1 MB - Last synced at: over 1 year ago - Pushed at: over 4 years ago - Stars: 6 - Forks: 2
danieljsharpe/DISCOTRESS_tutorials
Learn to get started using DISCOTRESS with these tutorials! Then apply to your own Markov chains in ecology 🦜🌴 economics 💸📈 biophysics 🧬🦠 and more!
Language: Brainfuck - Size: 5.43 MB - Last synced at: 4 months ago - Pushed at: almost 4 years ago - Stars: 5 - Forks: 2
grasingerm/gkMC
Kinetic Monte Carlo of phase transitions coupled with heat transfer
Language: Julia - Size: 226 KB - Last synced at: 2 months ago - Pushed at: 2 months ago - Stars: 4 - Forks: 1
grfrederic/visavis
Simulator of viral infection spread and containment in cell monolayer.
Language: Rust - Size: 33.2 KB - Last synced at: 4 months ago - Pushed at: almost 2 years ago - Stars: 3 - Forks: 0
abelcarreras/kimonet Fork of MaciaMutSbert/General_KMC
Kintetic Monte Carlo code to simulate exciton dynamics
Language: Python - Size: 24.8 MB - Last synced at: 28 days ago - Pushed at: 3 months ago - Stars: 2 - Forks: 5
Roninkoi/VIKMC
Defect migration kinetic Monte Carlo
Language: C - Size: 16.6 KB - Last synced at: over 1 year ago - Pushed at: over 2 years ago - Stars: 2 - Forks: 0
jarvist/Amphisbaena
Slithering snake code from summer 2005 - http://pubs.acs.org/doi/abs/10.1021/nl0608386
Language: C - Size: 3.48 MB - Last synced at: 4 months ago - Pushed at: over 11 years ago - Stars: 2 - Forks: 0
eugnsp/memristor
Simple model of a memristor
Language: C++ - Size: 2.41 MB - Last synced at: over 2 years ago - Pushed at: almost 6 years ago - Stars: 1 - Forks: 1
hheelweg/QDotPolaronKMC
Code to evolve the dynamics of excitons on a quantum dot lattice with KMC rates based on the polaron-transformed Redfield equation (PTRE).
Language: Python - Size: 237 KB - Last synced at: 1 day ago - Pushed at: 1 day ago - Stars: 0 - Forks: 0
lotnikee/TCC-CP
Repository that stores the tutorials and coursework exercises associated with the 'Statistical Mechanics' module of the MSc in Theoretical and Computational Chemistry at Oxford
Size: 20.5 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
michaelfaran/Nonequilibrium-Self-Assembly-Control-by-the-Stochastic-Landscape-Method
This repository contains the post-processed data and MATLAB scripts used to reproduce all figures presented in the manuscript and Supplementary Information (SI) of: "Nonequilibrium Self-Assembly Control by the Stochastic Landscape Method". Authors: Michael Faran and Prof. Gili Bisker.
Language: MATLAB - Size: 501 KB - Last synced at: 7 months ago - Pushed at: 7 months ago - Stars: 0 - Forks: 0
ianshimabukuro/1d-kmc-organic-semiconductors
A simple 1D monte carlo simulation of hopping transport in organic semiconductors
Language: MATLAB - Size: 17.6 KB - Last synced at: 4 months ago - Pushed at: 9 months ago - Stars: 0 - Forks: 0
bartosz-rogowski/BSc-thesis
Repository for Bachelor of Science thesis "Computer simulations of shock wave propagation within kinetic Monte Carlo method"
Language: Python - Size: 30 MB - Last synced at: over 2 years ago - Pushed at: over 3 years ago - Stars: 0 - Forks: 0
ShubhamAvasthi/ug-project
This is my UG Project on Kinetic Monte Carlo Simulation of the reaction of Syngas to produce hydrocarbons.
Language: Jupyter Notebook - Size: 7.88 MB - Last synced at: about 2 years ago - Pushed at: about 4 years ago - Stars: 0 - Forks: 0
snsinfu/cxx-distr
Efficient discrete random distribution for C++. The implementation uses array-based sum tree to allow fast sampling and updates of weighted events.
Language: C++ - Size: 146 KB - Last synced at: over 2 years ago - Pushed at: over 4 years ago - Stars: 0 - Forks: 0
ShubhamAvasthi/exploratory-project
This is my Exploratory Project on Kinetic Monte Carlo Simulations of the reaction of carbon monoxide and oxygen to form carbon dioxide.
Language: C++ - Size: 766 KB - Last synced at: about 2 years ago - Pushed at: almost 5 years ago - Stars: 0 - Forks: 0
dipc-cc/Morphokinetics
Morphokinetics is a software tool written in object-oriented Java language developed at the Donostia International Physics Center. This code is able to simulate several kinetic Monte Carlo (KMC) processes, namely: chemical etching, catalysis and 2D monolayer growth.
Language: Java - Size: 14.7 MB - Last synced at: almost 2 years ago - Pushed at: about 5 years ago - Stars: 0 - Forks: 1
lubo93/Network-Kinetic-Monte-Carlo
Implementation of a kinetic Monte Carlo algorithm to simulate dynamical processes on arbitrary networks using the Boost Graph Library (GBL).
Language: C++ - Size: 214 KB - Last synced at: 8 months ago - Pushed at: over 6 years ago - Stars: 0 - Forks: 0
