Publications of Matthias Scheffler
All genres
Journal Article (590)
2018
Journal Article
Ziletti, Angelo, , Matthias Scheffler and Luca M. Ghiringhelli: Insightful classification of crystal structures using deep learning.
2017
Journal Article
Bhattacharya, Amrita, Christian Carbogno, , , and Matthias Scheffler: Formation of Vacancies in Si- and Ge-based Clathrates: Role of Electron Localization and Symmetry Breaking.
Journal Article
Carbogno, Christian, and Matthias Scheffler: Ab Initio Green-Kubo Approach for the Thermal Conductivity of Solids.
Journal Article
Matthias Scheffler: , and Computational materials: Open data settled in materials theory.
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Ghiringhelli, Luca M., Christian Carbogno, Sergey V. Levchenko, Fawzi Roberto Mohamed, , , and Matthias Scheffler: Towards efficient data exchange and sharing for big-data driven materials science: metadata and data formats.
Journal Article
Ghiringhelli, Luca M., , Emre Ahmetcik, Runhai Ouyang, Sergey V. Levchenko, and Matthias Scheffler: Learning physical descriptors for materials science by compressed sensing.
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Goldsmith, Bryan, Mario Boley, , Matthias Scheffler and Luca M. Ghiringhelli: Uncovering structure-property relationships of materials by subgroup discovery.
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Matthias Scheffler, , , Igor Ying Zhang, , , , and : , , , , Understanding band gaps of solids in generalized Kohn-Sham theory.
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Shang, Honghui, Christian Carbogno, Patrick Rinke and Matthias Scheffler: Lattice dynamics calculations based on density-functional perturbation theory in real space.
Journal Article
Sebastián Alarcón Villaseca, Honghui Shang, Sergey V. Levchenko, , , , Matthias Scheffler, , , and : , Li/MgO Catalysts Doped with Alio-valent Ions. Part II: Local Topology Unraveled by EPR/NMR and DFT Modeling.
2016
Journal Article
Atalla, Viktor, Igor Ying Zhang, Oliver T. Hofmann, Xinguo Ren, Patrick Rinke and Matthias Scheffler: Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation.
Journal Article
Casadei, Marco, Xinguo Ren, Patrick Rinke, Angel Rubio and Matthias Scheffler: Density functional theory study of the α−γ phase transition in cerium: Role of electron correlation and f-orbital localization.
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Chibani, Wael, Xinguo Ren, Matthias Scheffler and Patrick Rinke: Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept.
Journal Article
Matthias Scheffler, , , , , , Alexandre Tkatchenko, , , , , , , and : , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , , Reproducibility in density functional theory calculations of solids.
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Scheffler, Matthias and : Obituary: Walter Kohn (1923–2016).
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Scheffler, Matthias and : Zum Gedenken an Walter Kohn.
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Matthias Scheffler: , , and Obituary for Walter Kohn (1923–2016).
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Zhang, Igor Ying, Patrick Rinke, and Matthias Scheffler: Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation.
Journal Article
Zhang, Igor Ying, Patrick Rinke and Matthias Scheffler: Wave-function inspired density functional applied to the H2/H2+ challenge.
2015
Journal Article
Ghiringhelli, Luca M., , Sergey V. Levchenko, and Matthias Scheffler: Big Data of Materials science: Critical Role of the Descriptor.