Publikationen von Matthias Scheffler
Alle Typen
Zeitschriftenartikel (591)
41.
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 42.
Zeitschriftenartikel
36 (2), S. 699 - 717 (2019)
Benefits from using mixed precision computations in the ELPA-AEO and ESSEX-II eigensolver projects. Japan Journal of Industrial and Applied Mathematics 43.
Zeitschriftenartikel
85, S. 167 - 177 (2019)
Optimizations of the eigensolvers in the ELPA library. Parallel Computing 44.
Zeitschriftenartikel
2 (3), 036001 (2019)
The NOMAD Laboratory: From Data Sharing to Artificial Intelligence. JPhys Materials 45.
Zeitschriftenartikel
237, S. 42 - 46 (2019)
Compact representation of one-particle wavefunctions and scalar fields obtained from electronic-structure calculations. Computer Physics Communications 46.
Zeitschriftenartikel
5 (5), 1800891 (2019)
Modulation of the Work Function by the Atomic Structure of Strong Organic Electron Acceptors on H‐Si(111). Advanced Electronic Materials 47.
Zeitschriftenartikel
2 (2), 024002 (2019)
Simultaneous learning of several materials properties from incomplete databases with multi-task SISSO. JPhys Materials 48.
Zeitschriftenartikel
9 (4), S. 2752 - 2759 (2019)
Beyond Scaling Relations for the Description of Catalytic Materials. ACS Catalysis 49.
Zeitschriftenartikel
5 (2), eaav0693 (2019)
New tolerance factor to predict the stability of perovskite oxides and halides. Science Advances 50.
Zeitschriftenartikel
7 (2), 022515 (2019)
Step-flow growth in homoepitaxy of β-Ga2O3 (100)-The influence of the miscut direction and faceting. APL Materials 51.
Zeitschriftenartikel
21 (1), 013025 (2019)
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-of-the-art electronic-structure approximations. New Journal of Physics 52.
Zeitschriftenartikel
3 (1), 016002 (2019)
Two-to-three dimensional transition in neutral gold clusters: The crucial role of van der Waals interactions and temperature. Physical Review Materials 53.
Zeitschriftenartikel
58 (12), S. 2477 - 2490 (2018)
AFLOW-CHULL: Cloud-Oriented Platform for Autonomous Phase Stability Analysis. Journal of Chemical Information and Modeling 54.
Zeitschriftenartikel
43 (9), S. 676 - 682 (2018)
NOMAD: The FAIR concept for big data-driven materials science. MRS Bulletin 55.
Zeitschriftenartikel
2 (08), 083802 (2018)
SISSO: a compressed-sensing method for identifying the best low-dimensional descriptor in an immensity of offered candidates. Physical Review Materials 56.
Zeitschriftenartikel
20 (7), 073040 (2018)
All-electron, real-space perturbation theory for homogeneous electric fields: theory, implementation, and application within DFT. New Journal of Physics 57.
Zeitschriftenartikel
9, 2775 (2018)
Insightful classification of crystal structures using deep learning. Nature Communications 58.
Zeitschriftenartikel
20 (6), 063020 (2018)
Performance of various density-functional approximations for cohesive properties of 64 bulk solids. New Journal of Physics 59.
Zeitschriftenartikel
57 (21), S. 6130 - 6135 (2018)
Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie International Edition 60.
Zeitschriftenartikel
130 (21), S. 6238 - 6243 (2018)
Local Atomic Arrangements and Band Structure of Boron Carbide. Angewandte Chemie