Publikationen von Matthias Scheffler
Alle Typen
Zeitschriftenartikel (609)
41.
Zeitschriftenartikel
: Materials genes of heterogeneous catalysis from clean experiments and artificial intelligence. MRS Bulletin 46 (11), S. 1016 - 1026 (2021)
42.
Zeitschriftenartikel
: Roadmap on organic–inorganic hybrid perovskite semiconductors and devices. APL Materials 9 (10), 109202 (2021)
43.
Zeitschriftenartikel
: OPTIMADE, an API for exchanging materials data. Scientific Data 8, 217 (2021)
44.
Zeitschriftenartikel
5 (1), 013807 (2021)
All-electron periodic G0W0 implementation with numerical atomic orbital basis functions: Algorithm and benchmarks. Physical Review Materials 45.
Zeitschriftenartikel
6 (57), 2767 (2021)
GIMS: Graphical Interface for Materials Simulations. The Journal of Open Source Software 46.
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 47.
Zeitschriftenartikel
5 (56), 2671 (2020)
FHI-vibes: Ab Initio Vibrational Simulations. The Journal of Open Source Software 48.
Zeitschriftenartikel
: Towards Experimental Handbooks in Catalysis. Topics in Catalysis 63 (19-20), S. 1683 - 1699 (2020)
49.
Zeitschriftenartikel
2 (3), 035002 (2020)
Pentacene and Tetracene Molecules and Films on H/Si(111): Level Alignment from Hybrid Density Functional Theory. Electronic Structure 50.
Zeitschriftenartikel
11, 4428 (2020)
Identifying domains of applicability of machine learning models for materials science. Nature Communications 51.
Zeitschriftenartikel
4 (8), 083809 (2020)
Anharmonicity measure for materials. Physical Review Materials 52.
Zeitschriftenartikel
102 (4), 045126 (2020)
Fully anharmonic nonperturbative theory of vibronically renormalized electronic band structures. Physical Review B 53.
Zeitschriftenartikel
4 (3), 034204 (2020)
Artificial intelligence for high-throughput discovery of topological insulators: The example of alloyed tetradymites. Physical Review Materials 54.
Zeitschriftenartikel
2019, 11659628 (2020)
Digitale Katalyse. Jahrbuch / Max-Planck-Gesellschaft 55.
Zeitschriftenartikel
5, 123 (2019)
Parametrically constrained geometry relaxations for high-throughput materials science. npj Computational Materials 56.
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 57.
Zeitschriftenartikel
5, 111 (2019)
Crowd-sourcing materials-science challenges with the NOMAD 2018 Kaggle competition. npj Computational Materials 58.
Zeitschriftenartikel
100 (17), 174106 (2019)
Determining surface phase diagrams including anharmonic effects. Physical Review B 59.
Zeitschriftenartikel
15 (9), S. 4721 - 4734 (2019)
Massive-parallel Implementation of the Resolution-of-Identity Coupled-cluster Approaches in the Numeric Atom-centered Orbital Framework for Molecular Systems. Journal of Chemical Theory and Computation 60.
Zeitschriftenartikel
: Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 36 (2), S. 699 - 717 (2019)