Pinned Loading

1. VASP_scripts VASP_scripts Public

   Python 4

2. Elast Elast Public

   Code for calculating elastic modulus with VASP

   Python 1

3. all-d_heusler-evolutionary-optimizer all-d_heusler-evolutionary-optimizer Public

   Optimization of all-Heusler alloys using genetic algorithms and machine learning trained on DFT data

   Python

4. Monte_Carlo Monte_Carlo Public

   Hybrid Python + C++ Monte Carlo simulation framework for configurational sampling in materials science

   C++

5. double_half_heusler_optimization double_half_heusler_optimization Public

   GNN-based prediction of thermoelectric properties using crystal structures and compositional data

   Jupyter Notebook