Browsing by Author "Rinke, Patrick"

Title: Accurate Absolute and Relative Core-Level Binding Energies from GW Author(s): Golze, Dorothea; Keller, Levi; Rinke, Patrick Date: 2020-03-05 Series: Journal of Physical Chemistry Letters, Volume 11, issue 5

Title: Accurate Computational Prediction of Core-Electron Binding Energies in Carbon-Based Materials: A Machine-Learning Model Combining Density-Functional Theory and GW Author(s): Golze, Dorothea; Hirvensalo, Markus; Hernández-León, Patricia; Aarva, Anja; Etula, Jarkko; Susi, Toma; Rinke, Patrick; Laurila, Tomi; Caro, Miguel A. Date: 2022-07-13 Series: Chemistry of Materials, Volume 34, issue 14

Title: Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3PbI3 Author(s): Li, Jingrui; Bouchard, Mathilde; Reiss, Peter; Aldakov, Dmitry; Pouget, Stéphanie; Demadrille, Renaud; Aumaitre, Cyril; Frick, Bernhard; Djurado, David; Rossi, Mariana; Rinke, Patrick Date: 2018-07-19 Series: Journal of Physical Chemistry Letters, Volume 9, issue 14

Title: All-electron, real-space perturbation theory for homogeneous electric fields Author(s): Shang, Honghui; Raimbault, Nathaniel; Rinke, Patrick; Scheffler, Matthias; Rossi, Mariana; Carbogno, Christian Date: 2018-07-01 Series: New Journal of Physics, Volume 20, issue 7

Title: Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6H-SiC(0001) Author(s): Sforzini, J.; Nemec, L.; Denig, T.; Stadtmüller, B.; Lee, T.-L.; Kumpf, C.; Soubatch, S.; Starke, U.; Rinke, Patrick; Blum, V.; Bocquet, F.C.; Tautz, F.S. Date: 2015 Series: PHYSICAL REVIEW LETTERS, Volume 114, issue 10

Title: Atomic and electronic structure of cesium lead triiodide surfaces Author(s): Seidu, Azimatu; Dvorak, Marc; Rinke, Patrick; Li, Jingrui Date: 2021-02-21 Series: Journal of Chemical Physics, Volume 154, issue 7

Title: Atomic structure of metal-halide perovskites from first principles Author(s): Li, Jingrui; Rinke, Patrick Date: 2016-07-01 Series: PHYSICAL REVIEW B, Volume 94, issue 4

Title: Atomic structures and orbital energies of 61,489 crystal-forming organic molecules Author(s): Stuke, Annika; Kunkel, Christian; Golze, Dorothea; Todorović, Milica; Margraf, Johannes T.; Reuter, Karsten; Rinke, Patrick; Oberhofer, Harald Date: 2020-12-01 Series: Scientific Data, Volume 7, issue 1

Title: Bayesian inference of atomistic structure in functional materials Author(s): Todorović, Milica; Gutmann, Michael U.; Corander, Jukka; Rinke, Patrick Date: 2019-03-18 Series: npj Computational Materials, Volume 5, issue 1

Title: Benchmark of GW Methods for Core-Level Binding Energies Author(s): Li, Jiachen; Jin, Ye; Rinke, Patrick; Yang, Weitao; Golze, Dorothea Date: 2022-12-13 Series: Journal of Chemical Theory and Computation, Volume 18, issue 12

Title: Beyond the GW approximation: A second-order screened exchange correction Author(s): Ren, X.; Marom, N.; Caruso, F.; Scheffler, M.; Rinke, Patrick Date: 2015 Series: PHYSICAL REVIEW B, Volume 92

Title: Boron doping in gallium oxide from first principles Author(s): Lehtomäki, Jouko; Li, Jingrui; Rinke, Patrick Date: 2020-12 Series: Journal of Physics Communications, Volume 4, issue 12

Title: Charge Transfer into Organic Thin Films Author(s): Egger, Alexander T.; Hörmann, Lukas; Jeindl, Andreas; Scherbela, Michael; Obersteiner, Veronika; Todorović, Milica; Rinke, Patrick; Hofmann, Oliver T. Date: 2020-08 Series: Advanced Science, Volume 7, issue 15

Title: Chemical diversity in molecular orbital energy predictions with kernel ridge regression Author(s): Stuke, Annika; Todorović, Milica; Rupp, Matthias; Kunkel, Christian; Ghosh, Kunal; Himanen, Lauri; Rinke, Patrick Date: 2019-05-28 Series: Journal of Chemical Physics, Volume 150, issue 20

Title: Compositional engineering of perovskites with machine learning Author(s): Laakso, Jarno; Todorovic, Milica; Li, Jingrui; Zhang, Guo-Xu; Rinke, Patrick Date: 2022-11-07 Series: Physical Review Materials, Volume 6, issue 11

Title: Core-Level Binding Energies from GW Author(s): Golze, Dorothea; Wilhelm, Jan; Van Setten, Michiel J.; Rinke, Patrick Date: 2018-09-11 Series: Journal of Chemical Theory and Computation, Volume 14, issue 9

Title: Data-Driven Materials Science Author(s): Himanen, Lauri; Geurts, Amber; Foster, Adam Stuart; Rinke, Patrick Date: 2019-11-06 Series: Advanced Science, articlenumber 1900808

Title: Database-driven high-throughput study of coating materials for hybrid perovskites Author(s): Seidu, Azimatu; Himanen, Lauri; Li, Jingrui; Rinke, Patrick Date: 2019-08-09 Series: New Journal of Physics, Volume 21

Title: Deep Learning Spectroscopy Author(s): Ghosh, Kunal; Stuke, Annika; Todorović, Milica; Jørgensen, Peter Bjørn; Schmidt, Mikkel N.; Vehtari, Aki; Rinke, Patrick Date: 2019-05-03 Series: Advanced Science

Title: Density functional theory study of the α-γ phase transition in cerium Author(s): Casadei, Marco; Ren, Xinguo; Rinke, Patrick; Rubio, Angel; Scheffler, Matthias Date: 2016-02-29 Series: PHYSICAL REVIEW B, Volume 93, issue 7

Browsing by Author "Rinke, Patrick"

Browsing by Author "Rinke, Patrick"

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