Bonan Zhu Computational Materials Scientist at UCL


I have developed and contributed to various materials science related open-source projects and some of the them are listed below. The full list may be found by visiting my GitHub profile.

  • DISP (developer): Framework for managing and deploying massively parallel crystal structure prediction workload.
  • easyunfold (developer): Making band structure unfolding and publication-quality plotting easy.
  • castepxbin (developer): Low-level interface for reading binary outputs from CASTEP.
  • AiiDA (contributor): An open source workflow engine focusing on provenance and high-throughput for computational materials science and more.
  • aiida-castep (maintainer): An interface for AiiDA and the plane wave DFT code CASTEP.
  • aiida-vasp (developer): An interface for AiiDA and the plane wave DFT code VASP.
  • airsspy (maintainer): Python tool for building structural input files for the AIRSS code
  • aiida-common-workflows (contributor): implementation of common workflow interfaces across materials-science codes and plugins for AiiDA.