GiftBTE-developer / GiftBTE
An efficient deterministic solver for phonon BTE
☆28Updated last year
Alternatives and similar repositories for GiftBTE:
Users that are interested in GiftBTE are comparing it to the libraries listed below
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆62Updated last week
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 4 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆47Updated 9 months ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆16Updated 7 years ago
- A solver for the coupled and decoupled electron and phonon Boltzmann transport equations.☆43Updated last week
- A grain boundary generation code☆60Updated last year
- LAMMPS scripts to simulate uniaxial tensile test of a graphene Sample☆30Updated 4 years 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.☆18Updated last month
- 针对开源模拟软件Lammps导出的数据文件，个人采用Python脚本进行数据处理并科研绘图，并取得相关的论文成果。☆43Updated 3 years ago
- An automated toolkit for training neural network potentials (NEP), integrating tools like GPUMD, VASP, and NEP for streamlined workflows …☆11Updated 2 weeks ago
- Some scripting tools used for lammps input or output☆56Updated 2 years ago
- 我盗版我自己☆69Updated last year
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Non-equilibrium green's function method☆15Updated 9 years ago
- Lammps tutorial: graphene simulations☆29Updated 4 years ago
- A simple and fast python library to handle the data generated from molecular dynamics simulations☆64Updated this week
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- Post-processing of electron-phonon coupling calculations from Abinit☆16Updated 4 years ago
- Massively parallel vibrational mode calculator.☆23Updated 5 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆52Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆38Updated 3 years ago
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 2 years ago
- (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.☆28Updated last month
- ElATools: A tool for analyzing anisotropic elastic properties of the 2D and 3D materials☆47Updated 6 months ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆29Updated 8 years ago
- POST code for second order elastic constant☆39Updated 4 years ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago