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 5 years ago
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆29Updated 4 years ago
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆14Updated 2 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆28Updated 5 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆24Updated last month
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆28Updated 11 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆49Updated 6 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆32Updated 11 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- Tutorials on atomic simulations related to my research☆31Updated 3 years ago
- An automated toolkit for training neuroevolution potential (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows i…☆37Updated last month
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆55Updated 3 years ago
- Python package for eigenchannels, vibrations and inelastic electron transport based on SIESTA/TranSIESTA DFT☆38Updated last year
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆30Updated 3 years ago
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆71Updated this week
- some toolkits for VASP☆32Updated 4 years ago
- generator of simple atomistic models☆28Updated 7 years ago
- A python interface of NEP☆63Updated 3 weeks ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆20Updated 5 years ago
- Some scripting tools used for lammps input or output☆62Updated 5 months ago
- ☆31Updated 5 years ago
- Harmonic phonon transmission calculations from molecular dynamics trajectories☆14Updated 6 years ago
- This a toolkit repository to read, and analysis ab initio molecular dynamics simulations☆11Updated 4 years ago
- GPUMD and LAMMPS helper functions for thermal computations☆26Updated 3 years ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆47Updated last week
- A tool for streamlining data analysis and visualisation for thermoelectrics and charge carrier transport in computational materials scien…☆52Updated 6 months ago
- DENSITY FUNCTIONAL THEORY EXERCISES. 本习题解答针对 DAVID S. SHOLL 的 Density functional theory: a practical introduction[1]一书。理论依据为密度泛函(DFT)理论,…☆67Updated 4 years ago
- CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…☆57Updated 6 years ago
- ☆56Updated last year