Items where Author is "Margraf, Johannes T"

Staacke, Carsten G and Wengert, Simon and Kunkel, Christian and Csányi, Gábor and Reuter, Karsten and Margraf, Johannes T (2022) Kernel charge equilibration: efficient and accurate prediction of molecular dipole moments with a machine-learning enhanced electron density model. Machine Learning: Science and Technology, 3 (1). 015032. ISSN 2632-2153