Matthias Scheffler

[https://www.youtube.com/watch?v=apDkNYuBqXk Matthias Scheffler talking at FAIR-DI in October, 2021)] Matthias Scheffler (born June 25, 1951, in Berlin) is a German theoretical physicist whose research focuses on condensed matter theory, materials science, and artificial intelligence. He is particularly known for his contributions to density-functional theory and many-electron quantum mechanics and for his development of multiscale approaches. In the latter, he combines electronic-structure theory with thermodynamics and statistical mechanics, and also employs numerical methods from engineering. As summarized by his appeal "Get Real!" he introduced environmental factors (e. g. partial pressures, deposition rates, and temperature) into ''ab initio'' calculations. In recent years, he has increasingly focused on data-centric scientific concepts and methods (the 4th paradigm of materials science) and on the goal that materials-science data must become "Findable and Artificial Intelligence Ready". Provided by Wikipedia
Showing 1 - 20 results of 32 for search 'Matthias Scheffler', query time: 0.06s Refine Results
  1. 1
    Wave-function inspired density functional applied to the H2/ challenge

    Wave-function inspired density functional applied to the H2/ challenge by Igor Ying Zhang, Patrick Rinke, Matthias Scheffler

    Published 2016-01-01
    Get full text
    Article
  2. 2
    The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding

    The NOMAD Artificial-Intelligence Toolkit: turning materials-science data into knowledge and understanding by Luigi Sbailò, Ádám Fekete, Luca M. Ghiringhelli, Matthias Scheffler

    Published 2022-12-01
    Get full text
    Article
  3. 3
    First-principles supercell calculations of small polarons with proper account for long-range polarization effects

    First-principles supercell calculations of small polarons with proper account for long-range polarization effects by Sebastian Kokott, Sergey V Levchenko, Patrick Rinke, Matthias Scheffler

    Published 2018-01-01
    Get full text
    Article
  4. 4
    Insightful classification of crystal structures using deep learning

    Insightful classification of crystal structures using deep learning by Angelo Ziletti, Devinder Kumar, Matthias Scheffler, Luca M. Ghiringhelli

    Published 2018-07-01
    Get full text
    Article
  5. 5
    Performance of various density-functional approximations for cohesive properties of 64 bulk solids

    Performance of various density-functional approximations for cohesive properties of 64 bulk solids by Guo-Xu Zhang, Anthony M Reilly, Alexandre Tkatchenko, Matthias Scheffler

    Published 2018-01-01
    Get full text
    Article
  6. 6
    Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory

    Interface dipoles of organic molecules on Ag(111) in hybrid density-functional theory by Oliver T Hofmann, Viktor Atalla, Nikolaj Moll, Patrick Rinke, Matthias Scheffler

    Published 2013-01-01
    Get full text
    Article
  7. 7
    Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms

    Efficient ab initio schemes for finding thermodynamically stable and metastable atomic structures: benchmark of cascade genetic algorithms by Saswata Bhattacharya, Sergey V Levchenko, Luca M Ghiringhelli, Matthias Scheffler

    Published 2014-01-01
    Get full text
    Article
  8. 8
    Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence

    Accelerating materials-space exploration for thermal insulators by mapping materials properties via artificial intelligence by Thomas A. R. Purcell, Matthias Scheffler, Luca M. Ghiringhelli, Christian Carbogno

    Published 2023-06-01
    Get full text
    Article
  9. 9
    Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar

    Numeric atom-centered-orbital basis sets with valence-correlation consistency from H to Ar by Igor Ying Zhang, Xinguo Ren, Patrick Rinke, Volker Blum, Matthias Scheffler

    Published 2013-01-01
    Get full text
    Article
  10. 10
    All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT

    All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT by Honghui Shang, Nathaniel Raimbault, Patrick Rinke, Matthias Scheffler, Mariana Rossi, Christian Carbogno

    Published 2018-01-01
    Get full text
    Article
  11. 11
    Uncovering structure-property relationships of materials by subgroup discovery

    Uncovering structure-property relationships of materials by subgroup discovery by Bryan R Goldsmith, Mario Boley, Jilles Vreeken, Matthias Scheffler, Luca M Ghiringhelli

    Published 2017-01-01
    Get full text
    Article
  12. 12
    Identifying domains of applicability of machine learning models for materials science

    Identifying domains of applicability of machine learning models for materials science by Christopher Sutton, Mario Boley, Luca M. Ghiringhelli, Matthias Rupp, Jilles Vreeken, Matthias Scheffler

    Published 2020-09-01
    Get full text
    Article
  13. 13
    Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state-of-the-art electronic-structure approximations

    Main-group test set for materials science and engineering with user-friendly graphical tools for error analysis: systematic benchmark of the numerical and intrinsic errors in state... by Igor Ying Zhang, Andrew J Logsdail, Xinguo Ren, Sergey V Levchenko, Luca Ghiringhelli, Matthias Scheffler

    Published 2019-01-01
    Get full text
    Article
  14. 14
    Resection of a Large Growing Mediastinal Germ Cell Tumor Using a Multidisciplinary Approach

    Resection of a Large Growing Mediastinal Germ Cell Tumor Using a Multidisciplinary Approach by Alison Greene, Lori Wood, Philip Champion, Mathieu Castonguay, Matthias Scheffler, Catherine Deshaies, Jeremy Wood, Daniel French

    Published 2023-12-01
    Get full text
    Article
  15. 15
    Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response

    Structure and energetics of benzene adsorbed on transition-metal surfaces: density-functional theory with van der Waals interactions including collective substrate response by Wei Liu, Victor G Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler, Alexandre Tkatchenko

    Published 2013-01-01
    Get full text
    Article
  16. 16
    Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes

    Not so loosely bound rare gas atoms: finite-temperature vibrational fingerprints of neutral gold-cluster complexes by Luca M Ghiringhelli, Philipp Gruene, Jonathan T Lyon, David M Rayner, Gerard Meijer, André Fielicke, Matthias Scheffler

    Published 2013-01-01
    Get full text
    Article
  17. 17
    Learning physical descriptors for materials science by compressed sensing

    Learning physical descriptors for materials science by compressed sensing by Luca M Ghiringhelli, Jan Vybiral, Emre Ahmetcik, Runhai Ouyang, Sergey V Levchenko, Claudia Draxl, Matthias Scheffler

    Published 2017-01-01
    Get full text
    Article
  18. 18
    Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO_{2} by first-principles theory and two-photon photoemission

    Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO_{2} by first-principles theory and two-photon photoemission by Honghui Shang, Adam Argondizzo, Shijing Tan, Jin Zhao, Patrick Rinke, Christian Carbogno, Matthias Scheffler, Hrvoje Petek

    Published 2019-12-01
    Get full text
    Article
  19. 19
    Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory

    Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory by Arvid Conrad Ihrig, Jürgen Wieferink, Igor Ying Zhang, Matti Ropo, Xinguo Ren, Patrick Rinke, Matthias Scheffler, Volker Blum

    Published 2015-01-01
    Get full text
    Article
  20. 20
    Multiple sclerosis: microRNA expression profiles accurately differentiate patients with relapsing-remitting disease from healthy controls.

    Multiple sclerosis: microRNA expression profiles accurately differentiate patients with relapsing-remitting disease from healthy controls. by Andreas Keller, Petra Leidinger, Julia Lange, Anne Borries, Hannah Schroers, Matthias Scheffler, Hans-Peter Lenhof, Klemens Ruprecht, Eckart Meese

    Published 2009-10-01
    Get full text
    Article

Search Tools: