Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
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Updated
May 21, 2024 - Python
Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)
Density of states-based kinetic Monte-Carlo simulation of variable-range hopping in amorphous solids
The open framework for on-the-fly off-lattice kinetic Monte Carlo simulations.
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.
Kinetic Monte Carlo of phase transitions coupled with heat transfer
Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
Simulator of viral infection spread and containment in cell monolayer.
Open-source, cross-platform application supporting lattice-based kinetic Monte Carlo simulations in crystalline systems
Defect migration kinetic Monte Carlo
Kintetic Monte Carlo code to simulate exciton dynamics
Kinetic Monte Carlo with multiple time scales and sensitivity analysis
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.
一些比较好用的kinetic monte carlo代码(添加Python3-wrapper)
Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial growth
Repository for Bachelor of Science thesis "Computer simulations of shock wave propagation within kinetic Monte Carlo method"
Learn to get started using DISCOTRESS with these tutorials! Then apply to your own Markov chains in ecology 🦜🌴 economics 💸📈 biophysics 🧬🦠 and more!
Lattice Kinetic Monte Carlo (KMC) Simulations for Subnanometer Pdn clusters Dynamics under a pressure of CO.
🦜 DISCOTRESS 🦜 is a software package to simulate and analyse the dynamics on arbitrary Markov chains
This is my UG Project on Kinetic Monte Carlo Simulation of the reaction of Syngas to produce hydrocarbons.
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