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23 de abr. de 2021 · Christian Kunkel, Johannes T. Margraf, Ke Chen, Harald Oberhofer & Karsten Reuter Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Germany Karsten Reuter
Further Information Johannes Margraf is a group leader at the Chair for Theoretical Chemistry at the Technical University of Munich. He obtained his PhD at the University of Erlangen, working with Timothy Clark and Dirk Guldi on the theoretical and experimental characterization of quantum dot solar cells.
12 de ene. de 2021 · Semilocal density functionals, while computationally efficient, do not account for non-local correlation. Here, the authors propose a machine-learning approach to DFT that leads to non-local and ...
15 de nov. de 2020 · Project information. Kernel charge equilibration method. 292 Commits. 9 Branches.
26 de ene. de 2023 · DOI: 10.1038/s41929-022-00896-y Corpus ID: 256322486; Exploring catalytic reaction networks with machine learning @article{Margraf2023ExploringCR, title={Exploring catalytic reaction networks with machine learning}, author={Johannes T. Margraf and Hyunwook Jung and Christoph Scheurer and Karsten Reuter}, journal={Nature Catalysis}, year={2023}, volume={6}, pages={112-121}, url={https://api ...
14 de jun. de 2018 · Johannes T. Margraf, Rodney Bartlett; Communication: Coupled cluster and many-body perturbation theory for fractional charges and spins. J. Chem. Phys. 14 June 2018; 148 (22): 221103.
10 de mar. de 2023 · Johannes T. Margraf studied chemistry at the University of Erlangen, where he also obtained his Ph.D. Subsequently he joined the Quantum Theory Project at the University of Florida as a PostDoc, funded by a Feodor-Lynen fellowship. This was followed by another postdoctoral fellowship at the Technical University of Munich.
