Bilaketaren emaitzak - Matthias Scheffler

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

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

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

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

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

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

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

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

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

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

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

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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... nork Igor Ying Zhang, Andrew J Logsdail, Xinguo Ren, Sergey V Levchenko, Luca Ghiringhelli, Matthias Scheffler

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

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

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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 nork Wei Liu, Victor G Ruiz, Guo-Xu Zhang, Biswajit Santra, Xinguo Ren, Matthias Scheffler, Alexandre Tkatchenko

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

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

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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 nork Honghui Shang, Adam Argondizzo, Shijing Tan, Jin Zhao, Patrick Rinke, Christian Carbogno, Matthias Scheffler, Hrvoje Petek

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

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DigiNet: Optimizing personalized care for patients with stage IV non-small cell lung cancer (NSCLC) through a digitally connected provider network–analysis plan of a prospective mu... nork Anika Kästner, Anna Kron, Leonie Eilers, Anna Spier, Vanessa Mildenberger, Dusan Simic, Stephanie Stock, Florian Kron, Matthias Scheffler, Gerhard Schillinger, Neeltje van den Berg, Jürgen Wolf, Wolfgang Hoffmann

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