Search Results - Matthias Scheffler

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  1. 1

    Materials-discovery workflow guided by symbolic regression for identifying acid-stable oxides for electrocatalysis by Akhil S. Nair, Lucas Foppa, Matthias Scheffler

    Published in npj Computational Materials (2025-05-01)
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  2. 2

    Materials Database from All-electron Hybrid Functional DFT Calculations by Akhil S. Nair, Lucas Foppa, Matthias Scheffler

    Published in Scientific Data (2025-08-01)
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  3. 3

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

    Published in New Journal of Physics (2016-01-01)
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  4. 4

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

    Published in npj Computational Materials (2022-12-01)
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  5. 5

    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 in New Journal of Physics (2018-01-01)
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  6. 6

    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 in New Journal of Physics (2018-01-01)
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  7. 7

    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 in New Journal of Physics (2013-01-01)
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  8. 8

    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 in New Journal of Physics (2014-01-01)
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  9. 9

    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 in npj Computational Materials (2023-06-01)
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  10. 10

    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 in New Journal of Physics (2013-01-01)
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  11. 11

    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 in New Journal of Physics (2018-01-01)
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  12. 12

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

    Published in New Journal of Physics (2017-01-01)
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  13. 13

    Targeted therapy for non-small cell lung cancer (NSCLC) in a real-world setting: A single practice experience by Achim Rothe, Nathalie Bauer, Lutz Dietze, Dieter Mainka, Sonja Lehnert, Matthias Scheffler

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  14. 14

    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 in New Journal of Physics (2019-01-01)
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  15. 15

    A high-performance and portable implementation of the SISSO method for CPUs and GPUs by Sebastian Eibl, Yi Yao, Matthias Scheffler, Markus Rampp, Luca M Ghiringhelli, Thomas A R Purcell

    Published in Machine Learning: Science and Technology (2025-01-01)
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  16. 16

    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 in Current Oncology (2023-12-01)
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  17. 17

    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 in New Journal of Physics (2013-01-01)
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  18. 18

    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 in New Journal of Physics (2013-01-01)
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  19. 19

    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 in New Journal of Physics (2017-01-01)
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  20. 20

    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 in Physical Review Research (2019-12-01)
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