Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. - Carsten G. Staacke; Simon Wengert; Christian Kunkel; Gábor Csányi; Karsten Reuter; Johannes T. Margraf (Mach. Learn. Sci. Technol., 2022)

matscipy: materials science at the atomic scale with Python. - Petr Grigorev; Lucas Frérot; Fraser Birks; Adrien Gola; Jacek Golebiowski; Jan Grießer; Johannes L. Hörmann; Andreas Klemenz; Gianpietro Moras; Wolfram G. Nöhring; Jonas A. Oldenstaedt; Punit Patel; et al. (Zenodo, 2024)

matscipy: materials science at the atomic scale with Python. - Petr Grigorev; Lucas Frérot; Fraser Birks; Adrien Gola; Jacek Golebiowski; Jan Grießer; Johannes L. Hörmann; Andreas Klemenz; Gianpietro Moras; Wolfram G. Nöhring; Jonas A. Oldenstaedt; Punit Patel; et al. (J. Open Source Softw., 2024)