JingshanDu / KineticMonteCarlo-FilmGrowth
A MATLAB program for simulating film growth using Kinetic Monte Carlo.
☆14Updated 3 years ago
Related projects ⓘ
Alternatives and complementary repositories for KineticMonteCarlo-FilmGrowth
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆25Updated 8 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆22Updated 2 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆27Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆51Updated 2 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆25Updated 9 years ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆28Updated 4 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆27Updated 8 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆52Updated 5 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆22Updated 4 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆27Updated 5 years ago
- ☆29Updated 4 years ago
- Script library mainly about chemical physics.☆24Updated this week
- BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA☆19Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆31Updated 4 years ago
- ☆32Updated 3 weeks ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆41Updated 9 months ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆26Updated 5 months ago
- To implement the phonon SED (spectral energy desity) method in 2010, phonon lifetime can be calculated.☆22Updated last month
- Python codes to calculate phonon spectral energy density from LAMMPS velocity data.☆24Updated 3 years ago
- Fluid-phase Free-energy Calculation package for LAMMPS☆24Updated 2 years ago
- A lite tool for monitoring convergence in VASP relaxation☆15Updated 4 months ago
- Allen-Feldman thermal conductivity compatible to GULP implementation☆17Updated last month
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆35Updated last week
- Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.☆16Updated 5 years ago
- Implementation for computing nonradiative recombination rates in semiconductors☆41Updated last month
- Tutorials on atomic simulations related to my research☆27Updated 2 years ago
- Postprocessing of Lammps outfile to analyze ReaxFF dyanamics data☆12Updated 5 years ago