Johannes T Margraf

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	Semua	Sejak 2020
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Karsten ReuterDirector at Fritz-Haber-Institut der MPGEmail yang diverifikasi di fhi-berlin.mpg.de
Dirk GuldiFriedrich–Alexander University Erlangen–NürnbergEmail yang diverifikasi di fau.de
Volker Straussd InterfacesEmail yang diverifikasi di mpikg.mpg.de
Gabor CsanyiProfessor of Molecular Modelling, Engineering Laboratory, University of CambridgeEmail yang diverifikasi di cam.ac.uk
Thomas BeinProfessor of Chemistry, University of Munich (LMU)Email yang diverifikasi di lmu.de
rodney bartlettgraduate research professor, university of floridEmail yang diverifikasi di qtp.ufl.edu
Harald OberhoferProfessor of Theoretical Physics, University of BayreuthEmail yang diverifikasi di uni-bayreuth.de
Hyun-wook JungFritz-Haber-Institut der MPGEmail yang diverifikasi di fhi.mpg.de
Stephan GünnemannProfessor of Computer Science, Technical University of MunichEmail yang diverifikasi di in.tum.de
Johannes Gasteiger, né KlicperaAnthropicEmail yang diverifikasi di anthropic.com
Johannes WalterInstitute of Particle Technology (LFG), Friedrich-Alexander University Erlangen-NürnbergEmail yang diverifikasi di fau.de
Erdmann SpieckerLehrstuhl für Mikro- und Nanostrukturforschung, Universität Erlangen-NürnbergEmail yang diverifikasi di fau.de
Duminda RanasingheMassachusetts institute of technologyEmail yang diverifikasi di mit.edu
Carsten G. StaackeCellforce GroupEmail yang diverifikasi di cellforce.de
Maurizio PratoIkerbasque Research Professor, CIC biomaGUNEEmail yang diverifikasi di cicbiomagune.es
Albert BruixUniversitat de BarcelonaEmail yang diverifikasi di ub.edu
Carsten StrebJohannes Gutenberg University Mainz, GermanyEmail yang diverifikasi di uni-mainz.de
Karena W. ChapmanStony Brook UniversityEmail yang diverifikasi di stonybrook.edu
Saul LapidusArgonne National LabEmail yang diverifikasi di anl.gov
Torben SickLMU MunichEmail yang diverifikasi di cup.uni-muenchen.de

Ikuti

Johannes T Margraf

Professor of Physical Chemistry, University of Bayreuth

Email yang diverifikasi di fhi.mpg.de - Beranda

chemical machine learning electronic structure theory catalysis


Judul Urutkan menurut kutipan Urutkan menurut tahun Urutkan menurut judul	Dikutip oleh Dikutip oleh	Tahun
Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks L Ascherl, T Sick, JT Margraf, SH Lapidus, M Calik, C Hettstedt, ... Nature Chemistry 8, 310–316, 2016	484	2016
Fast and Uncertainty-Aware Directional Message Passing for Non-Equilibrium Molecules J Klicpera, S Giri, JT Margraf, S Günnemann Workshop on Machine Learning for Molecules, NeurIPS 2020, 2020	397*	2020
Carbon Nanodots – Towards a Comprehensive Understanding of their Photoluminescence V Strauss, JT Margraf, C Dolle, B Butz, TJ Nacken, J Walter, W Bauer, ... Journal of the American Chemical Society 136 (49), 17308–17316, 2014	394	2014
First-principles-based multiscale modelling of heterogeneous catalysis A Bruix, JT Margraf, M Andersen, K Reuter Nature Catalysis 2, 659–670, 2019	289	2019
Synchronized offset stacking – a concept for growing large-domain and highly crystalline 2D covalent organic frameworks F Auras, L Ascherl, A Hakimioun, JT Margraf, F Hanusch, S Reuter, ... Journal of the American Chemical Society 138 (51), 16703–16710, 2016	254	2016
A foundation model for atomistic materials chemistry I Batatia, P Benner, Y Chiang, AM Elena, DP Kovács, J Riebesell, ... arXiv preprint arXiv:2401.00096, 2023	189	2023
Directional Charge Carrier Transport in Oriented Benzodithiophene Covalent Organic Framework Thin Films D Medina, M Petrus, A Jumabekov, JT Margraf, S Weinberger, J Rotter, ... ACS Nano 11 (3), 2706–2713, 2017	150	2017
Machine learning in chemical reaction space S Stocker, G Csányi, K Reuter, JT Margraf Nature Communications 11, 5505, 2020	148	2020
Mapping Materials and Molecules B Cheng, RR Griffiths, S Wengert, C Kunkel, T Stenczel, B Zhu, ... Accounts of Chemical Research 53 (9), 1981-1991, 2020	114	2020
Active discovery of organic semiconductors C Kunkel, JT Margraf, K Chen, H Oberhofer, K Reuter Nature Communications 12, 2422, 2021	100	2021
Molecular wires – impact of p-conjugation and implementation of molecular bottlenecks C Schubert, JT Margraf, T Clark, DM Guldi Chem. Soc. Rev. 44, 988-998, 2015	99	2015
Carbon Nanodots for Charge-Transfer Processes A Cadranel, JT Margraf, V Strauss, T Clark, DM Guldi Accounts of Chemical Research 52 (4), 955–963, 2019	94	2019
Carbon Nanodots: Supramolecular Electron Donor–Acceptor Hybrids Featuring Perylenediimides V Strauss, JT Margraf, K Dirian, Z Syrgiannis, M Prato, C Wessendorf, ... Angewandte Chemie International Edition 54 (28), 8292-8297, 2015	90	2015
Exploring catalytic reaction networks with machine learning JT Margraf, H Jung, C Scheurer, K Reuter Nature Catalysis 6 (2), 112-121, 2023	88	2023
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules A Stuke, C Kunkel, D Golze, M Todorović, JT Margraf, K Reuter, P Rinke, ... Scientific Data 7, 58, 2020	87	2020
How Robust are Modern Graph Neural Network Potentials in Long and Hot Molecular Dynamics Simulations? S Stocker, J Gasteiger, F Becker, S Günnemann, JT Margraf Machine Learning: Science and Technology 3, 045010, 2022	86	2022
Data-Efficient Machine Learning for Molecular Crystal Structure Prediction S Wengert, G Csányi, K Reuter, JT Margraf Chemical Science 12, 4536-4546, 2021	86	2021
The Electronic Structure of Amorphous Carbon Nanodots JT Margraf, V Strauss, DM Guldi, T Clark Journal of Physical Chemistry B 119 (24), 7258–7265, 2015	83	2015
A Molecular Placeholder Strategy to Access a Family of Transition- Metal-Functionalized Vanadium Oxide Clusters K Kastner, JT Margraf, T Clark, C Streb Chemistry - A European Journal 20 (38), 12269-12273, 2014	80	2014
Blending through-space and through-bond π–π-Coupling in [2, 2′]-Paracyclophane-oligophenylenevinylene molecular wires M Wielopolski, A Molina-Ontoria, C Schubert, JT Margraf, E Krokos, ... Journal of the American Chemical Society 135 (28), 10372-10381, 2013	75	2013

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