Stosiek, Matthias;Lang, Bruno;Evers, Ferdinand
Self-consistent-field ensembles of disordered Hamiltonians: Efficient solver and application to superconducting films
Physical Review B 2020-04
2020
101
14

Lauri Himanen, Amber Geurts, Adam Stuart Foster, Patrick Rinke
Erratum: Data-Driven Materials Science: Status, Challenges, and Perspectives.
Advanced Science Band 7 Ausgabe 2 Seiten 1903667-1903667
(Weinheim, Baden-wurttemberg, Germany) Jan 2020-01
2020

Himanen, Lauri;Jäger, Marc O.J.;Morooka, Eiaki V.;Federici Canova, Filippo;Ranawat, Yashasvi S.;Gao, David Z.;Rinke, Patrick;Foster, Adam S.
DScribe: Library of descriptors for machine learning in materials science
Computer Physics Communications 2020-02
2020
247
106949

Golze, Dorothea;Keller, Levi;Rinke, Patrick
Accurate Absolute and Relative Core-Level Binding Energies from GW
The Journal of Physical Chemistry Letters 2020-02
2020
11
5
1840-1847

Stuke, Annika;Kunkel, Christian;Golze, Dorothea;Todorović, Milica;Margraf, Johannes T.;Reuter, Karsten;Rinke, Patrick;Oberhofer, Harald
Atomic structures and orbital energies of 61,489 crystal-forming organic molecules
Scientific Data 2020-02
2020
7
1

Egger, Alexander T.;Hörmann, Lukas;Jeindl, Andreas;Scherbela, Michael;Obersteiner, Veronika;Todorović, Milica;Rinke, Patrick;Hofmann, Oliver T.
Charge Transfer into Organic Thin Films: A Deeper Insight through Machine‐Learning‐Assisted Structure Search
Advanced Science 2020-06
2020
7
15

Keller, Levi;Blum, Volker;Rinke, Patrick;Golze, Dorothea
Relativistic correction scheme for core-level binding energies from GW
The Journal of Chemical Physics 2020-09
2020
153
11

Järvi, Jari;Rinke, Patrick;Todorović, Milica
Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization
Beilstein Journal of Nanotechnology 2020-10
2020
11
1577-1589

Petrus Mikkola, Milica Todorović, Jari Järvi, Patrick Rinke, Samuel Kaski
Projective Preferential Bayesian Optimization
Proceedings of the 37th International Conference on Machine Learning, PMLR 119:6884-6892
Volume 119: 13-18 July 2020, Virtual 2020-07
2020