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Roadmap on Data-Centric Materials Science

Matthias Scheffler, Stefan Bauer, Peter Benner, Tristan Bereau, Volker Blum, Mario Boley, Christian Carbogno, C. Richard A. Catlow, Gerhard Dehm, Sebastian Eibl, Ralph Ernstorfer, Ádám Fekete, Lucas Foppa, Peter Fratzl, Christoph Freysoldt, Baptiste Gault, Luca M. Ghiringhelli, Sajal K. Giri, Anton Gladyshev, Pawan Goyal, Jason Hattrick-Simpers, Lara Kabalan, Petr Karpov, Mohammad S. Khorrami, Christoph Koch, Sebastian Kokott, Thomas Kosch, Igor Kowalec, Kurt Kremer, Andreas Leitherer, Yue Li, Christian H. Liebscher, Andrew J. Logsdail, Zhongwei Lu, Felix Luong, Andreas Marek, Florian Merz, Jaber R. Mianroodi, Jörg Neugebauer, Zongrui Pei, Thomas A. R. Purcell, Dierk Raabe, Markus Rampp, Mariana Rossi, Jan-Michael Rost, James Saal, Ulf Saalmann, Kasturi Narasimha Sasidhar, Alaukik Saxena, Luigi Sbailò, Markus Scheidgen, Marcel Schloz, Daniel F. Schmidt, Simon Teshuva, Annette Trunschke, Ye Wei, Gerhard Weikum, R. Patrick Xian, Yi Yao, Junqi Yin, Meng Zhao

Version 4 posted 01 March 2024

1,451

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Catalysis

Working Paper

Materials Genes of CO2 Hydrogenation on Supported Cobalt Catalysts: an AI Approach Integrating Theoretical and Experimental Data

Ray Miyazaki, Kendra S. Belthle, Harun Tüysüz, Lucas Foppa, Matthias Scheffler

Version 1 posted 17 November 2023

349

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Catalysis

Working Paper

CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and AI

Giulia Bellini, Gregor Koch, Frank Girgsdies, Jinhu Dong, Spencer J. Carey, Olaf Timpe, Gudrun Auffermann, Matthias Scheffler, Robert Schlögl, Lucas Foppa, Annette Trunschke

Version 2 posted 17 September 2024

202

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Materials Science

Review

Workflows for Artificial Intelligence

Jörg Behler, Gábor Csányi, Lucas Foppa, Kisung Kang, Marcel F. Langer, Johannes T. Margraf, Akhil S. Nair, Thomas A. R. Purcell, Patrick Rinke, Matthias Scheffler, Alexandre Tkatchenko, Milica Todorović, Oliver T. Unke, Yi Yao

Version 1 posted 13 November 2024

29

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Catalysis

Working Paper

Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C2H2 and C2H4 on transition-metal surfaces

Ray Miyazaki, Somayeh Faraji, Sergey V. Levchenko, Lucas Foppa, Matthias Scheffler

Version 3 posted 07 October 2024

236

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Inorganic Chemistry

Working Paper

Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

Lucas Foppa, Luca Ghiringhelli, Frank Girgsdies, Maike Hashagen, Pierre Kube, Michael Hävecker, Spencer J. Carey, Andrey Tarasov, Peter Kraus, Frank Rosowski, Robert Schlögl, Annette Trunschke, Matthias Scheffler

Version 1 posted 17 February 2021

426

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Catalysis

Working Paper

Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence

Lucas Foppa, Christopher Sutton, Luca M. Ghiringhelli, Sandip De, Patricia Löser, Stephan Schunk, Ansgar Schaefer, Matthias Scheffler

Version 1 posted 21 October 2021

770

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Catalysis

Working Paper

Data-centric heterogeneous catalysis: identifying rules and materials genes of alkane selective oxidation

Lucas Foppa, Frederik Rüther, Michael Geske, Gregor Koch, Frank Girgsdies, Pierre Kube, Spencer Carey, Michael Hävecker, Olaf Timpe, Andrey Tarasov, Matthias Scheffler, Frank Rosowski, Robert Schlögl, Annette Trunschke

Version 1 posted 31 October 2022

371

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8 results in Lucas Foppa in Authors: Lucas Foppa

Roadmap on Data-Centric Materials Science

Materials Genes of CO2 Hydrogenation on Supported Cobalt Catalysts: an AI Approach Integrating Theoretical and Experimental Data

CO Oxidation Catalyzed by Perovskites: The Role of Crystallographic Distortions Highlighted by Systematic Experiments and AI

Workflows for Artificial Intelligence

Vibrational frequencies utilized for the assessment of exchange-correlation functionals in the description of metal-adsorbate systems: C2H2 and C2H4 on transition-metal surfaces

Materials Genes of Heterogeneous Catalysis from Clean Experiments and Artificial Intelligence

Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence

Data-centric heterogeneous catalysis: identifying rules and materials genes of alkane selective oxidation

8 results in Authors: Lucas Foppa