yuhaowang2018 / Machine_learning_approach_to_Iron_based_soft_magnetic_nanocrystalline_materials_design
Machine learning approach to Fe-based soft magnetic nanocrystalline materials design
☆18Updated 5 years ago
Alternatives and similar repositories for Machine_learning_approach_to_Iron_based_soft_magnetic_nanocrystalline_materials_design:
Users that are interested in Machine_learning_approach_to_Iron_based_soft_magnetic_nanocrystalline_materials_design are comparing it to the libraries listed below
- Non-equilibrium green's function method☆16Updated 9 years ago
- AICON2: A program for calculating transport properties quickly and accurately☆15Updated last year
- POST code for second order elastic constant☆41Updated 5 years ago
- A 200-line Matlab implementation of the Atomistic Green's function (AGF) method for phonon transport☆25Updated 5 years ago
- Construct phonon tight-binding model and calculate its topological properties☆26Updated 5 years ago
- Tools for phase field crystal modeling of two-dimensional materials.☆19Updated 5 years ago
- This repository contains 'sample' LAMMPS input scripts for molecular dynamics thermal conductivity simulation and phonon mode analysis, v…☆12Updated 2 years ago
- Repository for the bicrystal simulations in LAMMPS used to study GB-Dislocation interaction in FCC and BCC metals☆16Updated 8 years ago
- Modified EPW code for first principles calculation of electron transport and thermoelectric property of materials, including electron-pho…☆26Updated 4 years ago
- Python tools for calculating the spectral heat current distribution from LAMMPS NEMD simulations☆28Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- Generate random alloys and compute various properties☆53Updated 4 months ago
- topoPhonon package is a python package that allows users to calculate topological properties (berry phase, berry curvature, wannier charg…☆23Updated 2 months ago
- Wavelike and Particlelike Phonon Transport (WPPT) Solver☆27Updated 4 months ago
- ☆16Updated 5 years ago
- Automatic search for the most stable magnetic state of a given structure☆22Updated last year
- Band structure of bulk 2H-phase MoS2☆25Updated 3 years ago
- ☆22Updated 3 months ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- A 100-line Matlab code for phonon transport in 1D atomic chain using the NEGF method☆13Updated 6 years ago
- A toolbox for quickly build inputs and analyze results of DFT codes☆42Updated last year
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆26Updated 4 months ago
- Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and …☆21Updated 3 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆40Updated 3 years ago
- A software to calculate thermal conductivity quickly and accurately☆34Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆49Updated last year
- generator of simple atomistic models☆27Updated 6 years ago
- Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP☆23Updated 4 years ago
- Calculates Projected Phonon Spectral Energy Density (SED) from molecular dynamics atomic velocity data and phonon eigenvectors☆17Updated 4 years ago
- Microkinetic models for electrochemical CO stripping and hydrogen oxidation☆13Updated 4 years ago