Contact

DFTpy Developers

Feel free to contact the developers:

• Xuecheng Shao

• Michele Pavanello

• Valeria Rios Vargas

On-line

DFTpy is actively developed by the following groups:

• Pavanello Research Group.

• Mi and Shao groups at Jilin University

• Quantum MultiScale collaboration

GitHub

Feel free to create new issues, merge requests or fork your own DFTpy on our gitlab page: https://github.com/Quantum-MultiScale/DFTpy

Make sure to let us know about your developments!

References

DFTpy

• Shao, X., Jiang, K., Mi, W., Genova, A., & Pavanello, M. (2021). DFTpy: An efficient and object‐oriented platform for orbital‐free DFT simulations. Wiley Interdisciplinary Reviews: Computational Molecular Science, 11(1), e1482. (https://doi.org/10.1002/wcms.1482)