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"Kernel charge equilibration: efficient and accurate prediction of ..."
Carsten G. Staacke et al. (2022)
- Carsten G. Staacke, Simon Wengert, Christian Kunkel, Gábor Csányi, Karsten Reuter, Johannes T. Margraf
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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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