ziyuanrao11 / Machine-learning-enabled-high-entropy-alloys-discovery
This is a simplified code of our work ''machine learning enabled high-entropy alloys discovery''
☆12Updated last year
Alternatives and similar repositories for Machine-learning-enabled-high-entropy-alloys-discovery:
Users that are interested in Machine-learning-enabled-high-entropy-alloys-discovery are comparing it to the libraries listed below
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆67Updated last year
- Generate random alloys and compute various properties☆51Updated 2 months ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆32Updated 2 years ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆64Updated last month
- A grain boundary generation code☆62Updated last year
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆53Updated 9 months ago
- Examples demonstrating how to reproduce the results in the paper.☆51Updated 3 months ago
- The Materials Project Workshop Curriculum☆112Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 5 years ago
- Some scripting tools used for lammps input or output☆56Updated 2 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.☆20Updated 2 months ago
- Computational Materials Science(Book)☆80Updated 2 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆19Updated 5 months ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆160Updated this week
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- Phonon anharmonicity analysis from molecular dynamics☆119Updated 3 months ago
- ☆20Updated 4 years ago
- A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆266Updated 2 weeks ago
- 我盗版我自己☆71Updated last year
- An interactive Python application for generating geometric features of interatomic distances, atomic environment information, and coordin…☆9Updated last month
- Automatic generation of crystal structure descriptions.☆110Updated last month
- MLMD: a programming-free AI platform to predict and design materials☆59Updated 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
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆38Updated 3 years ago
- LAMMPS inputs and data files☆244Updated 4 months ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆105Updated this week
- LAMMPS interface for phonon calculations using phonopy☆84Updated 5 months ago
- ☆106Updated 2 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- LAMMPS tutorials for both beginners and advanced users☆107Updated 2 months ago