Publikationen von Matthias Scheffler
Alle Typen
Zeitschriftenartikel (591)
21.
Zeitschriftenartikel
12 (4), S. 2233 - 2232 (2022)
Learning Design Rules for Selective Oxidation Catalysts from High-Throughput Experimentation and Artificial Intelligence. ACS Catalysis 22.
Zeitschriftenartikel
13, 419 (2022)
Artificial-intelligence-driven discovery of catalyst genes with application to CO2 activation on semiconductor oxides. Nature Communications 23.
Zeitschriftenartikel
46 (11), S. 1016 - 1026 (2021)
Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin 24.
Zeitschriftenartikel
9 (10), 109202 (2021)
Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 25.
Zeitschriftenartikel
8, 217 (2021)
OPTIMADE, an API for exchanging materials data. Scientific Data 26.
Zeitschriftenartikel
5 (1), 013807 (2021)
All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: Algorithm and benchmarks. Physical Review Materials 27.
Zeitschriftenartikel
6 (57), 2767 (2021)
GIMS: Graphical Interface for Materials Simulations. The Journal of Open Source Software 28.
Zeitschriftenartikel
4 (12), 125001 (2020)
Investigating the ranges of (meta)stable phase formation in (InxGa1−x)2O3: Impact of the cation coordination. Physical Review Materials 29.
Zeitschriftenartikel
5 (56), 2671 (2020)
FHI-vibes: Ab Initio Vibrational Simulations. The Journal of Open Source Software 30.
Zeitschriftenartikel
63 (19-20), S. 1683 - 1699 (2020)
Towards Experimental Handbooks in Catalysis. Topics in Catalysis 31.
Zeitschriftenartikel
2 (3), 035002 (2020)
Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory. Electronic Structure 32.
Zeitschriftenartikel
11, 4428 (2020)
Identifying domains of applicability of machine learning models for materials science. Nature Communications 33.
Zeitschriftenartikel
4 (8), 083809 (2020)
Anharmonicity measure for materials. Physical Review Materials 34.
Zeitschriftenartikel
102 (4), 045126 (2020)
Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures. Physical Review B 35.
Zeitschriftenartikel
4 (3), 034204 (2020)
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites. Physical Review Materials 36.
Zeitschriftenartikel
2019, 11659628 (2020)
Digitale Katalyse. Jahrbuch / Max-Planck-Gesellschaft 37.
Zeitschriftenartikel
5, 123 (2019)
Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 38.
Zeitschriftenartikel
1 (3), 033153 (2019)
Electron-phonon coupling in d-electron solids: A temperature-dependent study of rutile TiO2 by first-principles theory and two-photon photoemission. Physical Review Research 39.
Zeitschriftenartikel
5, 111 (2019)
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 40.
Zeitschriftenartikel
100 (17), 174106 (2019)
Determining surface phase diagrams including anharmonic effects. Physical Review B