Search Results - Matthias Scheffler
Matthias Scheffler
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".
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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)Get full text
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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)Get full text
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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)Get full text
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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)Get full text
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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)Get full text
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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 in New Journal of Physics (2015-01-01)Get full text
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