Matthias Scheffler

Affiliations: 
2009- Theory  Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, Berlin, Germany 
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"Matthias Scheffler"
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Children

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Jie Yu grad student (Chemistry Tree)
Nikolaj Moll grad student 1993-1998 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin
Jörg Behler grad student 2000-2004 Fritz Haber Institute (Chemistry Tree)
Biswajit Santra grad student 2006-2010 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin
Qimin Yan grad student 2007-2012 Fritz Haber Institute of the Max Planck Society
Karsten Reuter post-doc Fritz Haber Institute of the Max Planck Society
Shobhana Narasimhan post-doc 1994-1996 Fritz Haber Institute of the Max Planck Society
Suljo Linic post-doc 2003-2004 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin (Chemistry Tree)
Alexandre Tkatchenko post-doc 2007-2010 Fritz Haber Institut der Max-Planck-Gesellschaft (Chemistry Tree)
Aloysius Soon post-doc 2009-2010 Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin
Yong Xu post-doc 2010-2013
Saswata Bhattacharya post-doc 2011-2015 Fritz Haber Institute of the Max Planck Society
Amrita Bhattacharya post-doc 2013-2016 Fritz Haber Institute of the Max Planck Society
Bryan Richard Goldsmith post-doc 2015-2017 Fritz Haber Institute of the Max Planck Society (Neurotree)
Debalaya Sarker post-doc 2017-2019 Fritz Haber Institute of the Max Planck Society
Christopher A. Sutton post-doc 2015-2020 Fritz Haber Institut der Max-Planck-Gesellschaft (Chemistry Tree)
Steven C. Erwin research scientist 1998-1999
Volker Blum research scientist 2004-2013 Fritz Haber Institut der Max-Planck-Gesellschaft (Chemistry Tree)
Sergey V. Levchenko research scientist 2008-2018 Fritz Haber Institute of the Max Planck Society (Chemistry Tree)

Collaborators

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Michiel Jan van Setten collaborator 2010-2018 (Chemistry Tree)
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Publications

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Foppa L, Sutton C, Ghiringhelli LM, et al. (2022) Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. Acs Catalysis. 12: 2223-2232
Mazheika A, Wang YG, Valero R, et al. (2022) Artificial-intelligence-driven discovery of catalyst genes with application to CO activation on semiconductor oxides. Nature Communications. 13: 419
Sutton C, Boley M, Ghiringhelli LM, et al. (2020) Identifying domains of applicability of machine learning models for materials science. Nature Communications. 11: 4428
Knoop F, Purcell TAR, Scheffler M, et al. (2020) Anharmonicity Measure for Materials Physical Review Materials. 4
Zacharias M, Scheffler M, Carbogno C. (2020) Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures Physical Review B. 102: 45126
Shen T, Zhu Z, Zhang IY, et al. (2019) Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems. Journal of Chemical Theory and Computation
Bartel CJ, Sutton C, Goldsmith BR, et al. (2019) New tolerance factor to predict the stability of perovskite oxides and halides. Science Advances. 5: eaav0693
Wang XG, Chaka A, Scheffler M. (2019) Effect of the environment on alpha-Al2O3 (0001) surface structures Physical Review Letters. 84: 3650-3
Gross A, Wilke S, Scheffler M. (2019) Six-dimensional quantum dynamics of adsorption and desorption of H2 at Pd(100): Steering and steric effects. Physical Review Letters. 75: 2718-2721
Methfessel M, Scheffler M. (2019) Electronic structure and bonding in the metallocarbohedrene Ti8C12. Physical Review Letters. 70: 29-32
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