JingshanDu / KineticMonteCarlo-FilmGrowth
A MATLAB program for simulating film growth using Kinetic Monte Carlo.
☆15Updated 4 years ago
Alternatives and similar repositories for KineticMonteCarlo-FilmGrowth:
Users that are interested in KineticMonteCarlo-FilmGrowth are comparing it to the libraries listed below
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆21Updated 3 weeks ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆30Updated 4 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆49Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- A software to calculate thermal conductivity quickly and accurately☆34Updated 5 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆30Updated 8 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- Lammps tutorial: graphene simulations☆31Updated 4 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆38Updated 4 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆20Updated 2 weeks ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆26Updated 3 months ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆31Updated 5 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆56Updated 5 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆29Updated 3 months ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆12Updated 5 years ago
- A grain boundary generation code☆64Updated last year
- A set of python scripts for automating iterative the iterative Boltzmann inversion method using LAMMPS.☆12Updated 9 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆29Updated last month
- Generate data file for lammps using force field and a POSCAR (VASP) like input file.☆17Updated 9 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆26Updated 3 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆11Updated last year
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆65Updated 2 months ago
- Provides some useful information and the LAMMPS input files to model a polymer-metal interface.☆36Updated 3 years ago
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆16Updated 5 years ago