ziyuanrao11 / Machine-learning-enabled-high-entropy-alloys-discovery
This is a simplified code of our work ''machine learning enabled high-entropy alloys discovery''
☆13Updated 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'☆71Updated last year
- Generate random alloys and compute various properties☆53Updated 4 months ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆32Updated 2 years ago
- A grain boundary generation code☆65Updated last year
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆54Updated last year
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- POST code for second order elastic constant☆41Updated 5 years ago
- The package TransOpt makes it possible for VASP users to calculate electrical transport properties (Seebeck coefficients, electrical cond…☆54Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆56Updated 5 months 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.☆23Updated 2 weeks ago
- 我盗版我自己☆70Updated 2 years ago
- Tool to quickly create a composition-based feature vector☆27Updated 3 years ago
- The Materials Project Workshop Curriculum☆114Updated 2 years ago
- ☆90Updated 3 months ago
- 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。☆45Updated 3 years ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 5 years ago
- SPPARKS Kinetic and Metropolis Monte Carlo simulator☆68Updated 3 months ago
- Computational Materials Science(Book)☆91Updated 4 months ago
- LAMMPS interface for phonon calculations using phonopy☆85Updated 7 months ago
- ☆12Updated 8 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆49Updated last year
- Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt☆100Updated 2 years ago
- VaspCZ: an Efficient VASP Computation Assistant Program, with High Throughput Computing. 包含静态优化、过渡态计算、振动分析等☆119Updated 3 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆40Updated 3 years ago
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆16Updated 2 years ago
- ☆11Updated last year
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆114Updated this week
- MLMD: a programming-free AI platform to predict and design materials☆62Updated 2 months ago
- ☆50Updated 2 years ago
- Source code of the Kinetic Monte Carlo MMonCa, available for diffusion of dopants in crystalline materials and simulation of epitaxial gr…☆24Updated last month