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2020 – today
- 2024
[j2]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, Thomas Reichenbach, Thomas Rocke, Lakshmi Shenoy, Michael Walter, Simon Wengert, Lei Zhang, James R. Kermode, Lars Pastewka:
matscipy: materials science at the atomic scale with Python. J. Open Source Softw. 9(93): 5668 (2024)- 2022
- [j1]Carsten G. Staacke, Simon Wengert, Christian Kunkel, Gábor Csányi, Karsten Reuter, Johannes T. Margraf:
Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Mach. Learn. Sci. Technol. 3(1): 15032 (2022)
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