Popular repositories

1. ShengBTE ShengBTE Public

   An interface between CASTEP and ShengBTE

   Python 2 2

2. pymatgen pymatgen Public

   Forked from materialsproject/pymatgen

   Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

   Python 1

3. 3D_cube 3D_cube Public

   Forked from rubenftf/3D_cube

   The repository contains a set of python codes which are responsible for generation and investigation of a 3D cubic structure of ferroelectric ceramics using the FlexPDE which solved kinetic and Lap…

   Python 1

4. random-exchange-atoms random-exchange-atoms Public

   In this package, you can exchange atoms in crystal structures randomly with pymatgen.

   Python 1

5. amset amset Public

   Forked from hackingmaterials/amset

   Electronic transport properties from first-principles calculations

   Python 1

6. atomate atomate Public

   Forked from hackingmaterials/atomate

   atomate is a powerful software for computational materials science and contains pre-built workflows.

   Python