Principia Materia (PM) is a materials computation and simulation package started with my advisor Prof. Chris Marianetti during my doctoral research.
With a codebase of around 20 thousand lines, the object oriented software package is optimized with over 10$\times$ improvements on time complexity comparing to the existing software while computing at the same level of precision.
Although our work emphasizes on the computation of phonons and phonon interactions as well as the prediction of materials thermodynamic and transport properties, the modular design of the package allows its individual parts to be used in a variety materials studies, including the electronic properties of materials, symmetry analysis of other materials properties, etc.
Currently, we are working on the final preparation of the open source release of the package, while the documentation is already available for reference. Stay tuned.