JingshanDu / KineticMonteCarlo-FilmGrowthLinks
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
Sorting:
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆14Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 8 months ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆27Updated 4 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 3 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆33Updated 5 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- Generate random alloys and compute various properties☆57Updated 9 months ago
- Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP☆29Updated 4 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆30Updated last week
- ☆22Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆34Updated 9 years ago
- Calculate 3rd order elastic constant.☆13Updated 5 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 8 months ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆27Updated 5 years ago
- Tutorials on atomic simulations related to my research☆30Updated 3 years ago
- A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.☆34Updated 3 years ago
- some toolkits for VASP☆30Updated 4 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Script to generate distorted perovskite structures☆12Updated last year
- This GitHub repository contains additional information supporting published manuscripts☆17Updated 11 months ago
- 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.☆30Updated last month
- Files used in tutorials☆45Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆26Updated 9 years ago
- A grain boundary generation code☆73Updated last year