jeanphilippeperaud / 1D_KMC_matlabLinks
A simple 1D time-dependent linearized phonon transport problem solved with the Kinetic Monte Carlo method
☆9Updated 9 years ago
Alternatives and similar repositories for 1D_KMC_matlab
Users that are interested in 1D_KMC_matlab are comparing it to the libraries listed below
Sorting:
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago
- A MATLAB program for simulating film growth using Kinetic Monte Carlo.☆15Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆29Updated 3 years ago
- A MATlab toolkit for LAttice DYnamics calculations based on empirical potentials☆10Updated 5 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆51Updated last year
- A grain boundary generation code☆69Updated last year
- An extension module to ShengBTE for computing four-phonon scattering rates and thermal conductivity☆65Updated last week
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆19Updated 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
- generator of simple atomistic models☆28Updated 6 years ago
- Non-equilibrium green's function method☆16Updated 9 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆47Updated 6 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 7 months ago
- A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method☆13Updated 6 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 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…☆13Updated 2 years ago
- ☆27Updated last year
- 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，…☆62Updated 3 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Effective Mass Calculator for Semiconductors☆107Updated 4 years ago
- ☆30Updated 4 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆53Updated last week
- Implementation for computing nonradiative recombination rates in semiconductors☆48Updated 9 months ago
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆32Updated 4 years ago
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated last week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year