People
Patrick Rinke

Patrick Rinke

Professori (Associate professor)
Department of Applied Physics

Contact information

Email
[email protected]
Postal address
Otakaari 1 02150 Espoo Finland
Phone number
+358504433199

Areas of expertise

Theoretical physics, Material science, Computational science, Machine Learning

Honors and awards

August-Wilhelm Scheer visiting professorship, Technical University Munich

Award or honor granted for academic career Department of Applied Physics Jan 2017

Outstanding Referee of Physical Review and Physical Review Letters

Award or honor granted for academic career Department of Applied Physics Jan 2014

Outstanding Postdoctoral Research Achievement Award – Solid State Lighting & Energy Center, University of California at Santa Barbara

Award or honor granted for academic career Department of Applied Physics Jan 2009

German Science Foundation (DFG) research scholarship

2007 - 2009
Award or honor granted for academic career Department of Applied Physics Jan 2007

Thesis Prize - Institute of Physics (UK) Computational Physics Group

Award or honor granted for a specific work Department of Applied Physics Jan 2003

Publications

Charge Transfer into Organic Thin Films

Alexander T. Egger, Lukas Hörmann, Andreas Jeindl, Michael Scherbela, Veronika Obersteiner, Milica Todorović, Patrick Rinke, Oliver T. Hofmann 2020 Advanced Science

Atomic structures and orbital energies of 61,489 crystal-forming organic molecules

Annika Stuke, Christian Kunkel, Dorothea Golze, Milica Todorović, Johannes T. Margraf, Karsten Reuter, Patrick Rinke, Harald Oberhofer 2020 Scientific Data

Accurate Absolute and Relative Core-Level Binding Energies from GW

Dorothea Golze, Levi Keller, Patrick Rinke 2020 Journal of Physical Chemistry Letters

Projective Preferential Bayesian Optimization

Petrus Mikkola, Milica Todorovic, Jari Järvi, Patrick Rinke, Samuel Kaski 2020

Database driven research and the Novel Materials Discovery Laboratory

Patrick Rinke 2019 Abstracts of papers of the American Chemical Society

Dynamical configuration interaction

Marc Dvorak, Patrick Rinke 2019 Physical Review B

Bayesian inference of atomistic structure in functional materials

Milica Todorović, Michael U. Gutmann, Jukka Corander, Patrick Rinke 2019 npj Computational Materials

Database-driven high-throughput study of coating materials for hybrid perovskites

Azimatu Seidu, Lauri Himanen, Jingrui Li, Patrick Rinke 2019 New Journal of Physics

Gold diggers

Laura Katharina Scarbath-Evers, Milica Todorović, Dorothea Golze, René Hammer, Wolf Widdra, Daniel Sebastiani, Patrick Rinke 2019 Physical Review Materials

Chemical diversity in molecular orbital energy predictions with kernel ridge regression

Annika Stuke, Milica Todorović, Matthias Rupp, Christian Kunkel, Kunal Ghosh, Lauri Himanen, Patrick Rinke 2019 Journal of Chemical Physics

Formation of graphene atop a Si adlayer on the C-face of SiC

Jun Li, Qingxiao Wang, Guowei He, Michael Widom, Lydia Nemec, Volker Blum, Moon Kim, Patrick Rinke, Randall M. Feenstra 2019 Physical Review Materials

Data-Driven Materials Science

Lauri Himanen, Amber Geurts, Adam Stuart Foster, Patrick Rinke 2019 Advanced Science

The GW Compendium

Dorothea Golze, Marc Dvorak, Patrick Rinke 2019 Frontiers in Chemistry

Deep Learning Spectroscopy

Kunal Ghosh, Annika Stuke, Milica Todorović, Peter Bjørn Jørgensen, Mikkel N. Schmidt, Aki Vehtari, Patrick Rinke 2019 Advanced Science

Quantum embedding theory in the screened Coulomb interaction

Marc Dvorak, Dorothea Golze, Patrick Rinke 2019 Physical Review Materials

DScribe

Lauri Himanen, Marc O.J. Jäger, Eiaki V. Morooka, Filippo Federici Canova, Yashasvi S. Ranawat, David Z. Gao, Patrick Rinke, Adam S. Foster 2019 Computer Physics Communications

Multiscale model for disordered hybrid perovskites

Jingrui Li, Jari Järvi, Patrick Rinke 2018 Physical Review B

Theory of Excitation Transfer between Two-Dimensional Semiconductor and Molecular Layers

Judith F. Specht, Eike Verdenhalven, Björn Bieniek, Patrick Rinke, Andreas Knorr, Marten Richter 2018 Physical Review Applied

All-electron, real-space perturbation theory for homogeneous electric fields

Honghui Shang, Nathaniel Raimbault, Patrick Rinke, Matthias Scheffler, Mariana Rossi, Christian Carbogno 2018 New Journal of Physics

Optical properties of silver-mediated DNA from molecular dynamics and time dependent density functional theory

Esko Makkonen, Patrick Rinke, Olga Lopez-Acevedo, Xi Chen 2018 International Journal of Molecular Sciences

Multi-scale model for the structure of hybrid perovskites

Jari Järvi, Jingrui Li, Patrick Rinke 2018 New Journal of Physics

Activation Energy of Organic Cation Rotation in CH3NH3PbI3 and CD3NH3PbI3

Jingrui Li, Mathilde Bouchard, Peter Reiss, Dmitry Aldakov, Stéphanie Pouget, Renaud Demadrille, Cyril Aumaitre, Bernhard Frick, David Djurado, Mariana Rossi, Patrick Rinke 2018 Journal of Physical Chemistry Letters

First-principles supercell calculations of small polarons with proper account for long-range polarization effects

Sebastian Kokott, Sergey V. Levchenko, Patrick Rinke, Matthias Scheffler 2018 New Journal of Physics

Materials structure genealogy and high-throughput topological classification of surfaces and 2D materials

Lauri Himanen, Patrick Rinke, Adam Stuart Foster 2018 npj Computational Materials

Core-Level Binding Energies from GW

Dorothea Golze, Jan Wilhelm, Michiel J. Van Setten, Patrick Rinke 2018 Journal of Chemical Theory and Computation

Exploring emerging scientific fields

Amber Geurts, Heidi Henrickson, Nina Granqvist, Patrick Rinke 2018 Arkhimedes

Special Issue

Orlando J. Rojas, Patrick Rinke 2017 Advanced Electronic Materials

Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces

Julia Stähler, Patrick Rinke 2017 Chemical Physics

Lattice dynamics calculations based on density-functional perturbation theory in real space

Honghui Shang, Christian Carbogno, Patrick Rinke, Matthias Scheffler 2017 Computer Physics Communications

Special Issue

Orlando Rojas Gaona, Patrick Rinke 2017 Advanced Electronic Materials

Charge-Transfer-Driven Nonplanar Adsorption of F4TCNQ Molecules on Epitaxial Graphene

Avijit Kumar, Kaustuv Banerjee, Marc Dvorak, Fabian Schulz, Ari Harju, Patrick Rinke, Peter Liljeroth 2017 ACS Nano

Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers

Oliver T. Hofmann, Patrick Rinke 2017 Advanced Electronic Materials

Doping dependence of the surface phase stability of polar O-terminated (000) ZnO

Simon Erker, Patrick Rinke, Nikolaj Moll, Oliver T. Hofmann 2017 New Journal of Physics

On the Monte Carlo Description of Hot Carrier Effects and Device Characteristics of III-N LEDs

Pyry Kivisaari, Toufik Sadi, Jingrui Li, Patrick Rinke, Jani Oksanen 2017 Advanced Electronic Materials

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II

Lukas Gallandi, Noa Marom, Patrick Rinke, Thomas Körzdörfer 2016 Journal of Chemical Theory and Computation

Wave-function inspired density functional applied to the H2/H2 + challenge

Igor Ying Zhang, Patrick Rinke, Matthias Scheffler 2016 New Journal of Physics

Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation

Igor Ying Zhang, Patrick Rinke, John P. Perdew, Matthias Scheffler 2016 Physical Review Letters

Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III

Joseph W. Knight, Xiaopeng Wang, Lukas Gallandi, Olga Dolgounitcheva, Xinguo Ren, J. Vincent Ortiz, Patrick Rinke, Thomas Körzdörfer, Noa Marom 2016 Journal of Chemical Theory and Computation

Atomic structure of metal-halide perovskites from first principles

Jingrui Li, Patrick Rinke 2016 Physical Review B

Piecewise linearity in the GW approximation for accurate quasiparticle energy predictions

Matthias Dauth, Fabio Caruso, Stephan Kümmel, Patrick Rinke 2016 Physical Review B

Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept

Wael Chibani, Xinguo Ren, Matthias Scheffler, Patrick Rinke 2016 Physical Review B

Density functional theory study of the α-γ phase transition in cerium

Marco Casadei, Xinguo Ren, Patrick Rinke, Angel Rubio, Matthias Scheffler 2016 Physical Review B

Benchmark of GW Approaches for the GW100 Test Set

Fabio Caruso, Matthias Dauth, Michiel J. Van Setten, Patrick Rinke 2016 Journal of Chemical Theory and Computation

Enforcing the linear behavior of the total energy with hybrid functionals

Viktor Atalla, Igor Ying Zhang, Oliver T. Hofmann, Xinguo Ren, Patrick Rinke, Matthias Scheffler 2016 Physical Review B

Why graphene growth is very different on the C face than on the Si face of SiC: Insights from surface equilibria and the (3 × 3) - 3C - SiC(-1-1-1) reconstruction

L. Nemec, F. Lazarevic, P. Rinke, M. Scheffler, V. Blum 2015 Physical Review B

Multiscale approach to the electronic structure of doped semiconductor surfaces

O. Sinai, O.T. Hofmann, Patrick Rinke, M. Scheffler, G. Heimel, L. Kronik 2015 Physical Review B

Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6H-SiC(0001)

J. Sforzini, L. Nemec, T. Denig, B. Stadtmüller, T.-L. Lee, C. Kumpf, S. Soubatch, U. Starke, Patrick Rinke, V. Blum, F.C. Bocquet, F.S. Tautz 2015 Physical Review Letters

Evidence for photogenerated intermediate hole polarons in ZnO

H. Sezen, H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke, C. Wöll 2015 Nature Communications

Corrigendum: Evidence for photogenerated intermediate hole polarons in ZnO

H. Sezen, H. Shang, F. Bebensee, C. Yang, M. Buchholz, A. Nefedov, S. Heissler, C. Carbogno, M. Scheffler, P. Rinke, C. Woll 2015 Nature Communications

GW100: Benchmarking G0W0 for Molecular Systems

M.J. v. Setten, F. Caruso, S. Sharifzadeh, X. Ren, M. Scheffler, F. Liu, J. Lischner, L. Lin, J.R. Deslippe, S.G. Louie, C. Yang, F. Weigend, J.B. Neaton, F. Evers, Patrick Rinke 2015 Journal of Chemical Theory and Computation

Beyond the GW approximation: A second-order screened exchange correction

X. Ren, N. Marom, F. Caruso, M. Scheffler, Patrick Rinke 2015 Physical Review B

Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach

M. Pinheiro, M.J. Caldas, P. Rinke, V. Blum, M. Scheffler 2015 Physical Review B

Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation

M. Hellgren, F. Caruso, D.R. Rohr, X. Ren, A. Rubio, M. Scheffler, P. Rinke 2015 Physical Review B

Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework

S.V. Levchenko, X. Ren, J. Wieferink, R. Johanni, P. Rinke, V. Blum, M. Scheffler 2015 Microfluidics and Nanofluidics

Bipolar Monte Carlo simulation of hot carriers in III-N LEDs

Pyry Kivisaari, Toufik Sadi, Jingrui Li, Vihar Georgiev, Jani Oksanen, Patrick Rinke, Jukka Tulkki 2015 2015 International Conference on Simulation of Semiconductor Processes and Devices, SISPAD 2015

Bipolar Monte Carlo simulation of hot carriers in III-N LEDs

Pyry Kivisaari, Toufik Sadi, Jingrui Li, Vihar Georgiev, Jani Oksanen, Patrick Rinke, Jukka Tulkki 2015 Proceedings of the International Conference on Numerical Simulation of Optoelectronic Devices, NUSOD

First-principles calculations of indirect Auger recombination in nitride semiconductors

E. Kioupakis, D. Steiauf, P. Rinke, K.T. Delaney, C.G. Van de Walle 2015 Physical Review B

Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory,

A.C. Ihrig, J. Wieferink, I.Y. Zhang, M. Ropo, X. Ren, P. Rinke, M. Scheffler, V. Blum 2015 New Journal of Physics

Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE

O.T. Hofmann, P. Rinke, M. Scheffler, G. Heimel 2015 ACS Nano

Correction to Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE

O.T. Hofmann, P. Rinke, M. Scheffler, G. Heimel 2015 ACS Nano

Local aspects of hydrogen-induced metallization of the ZnO(10-10) surface

J. C. Deinert, O. T. Hofmann, M. Meyer, P. Rinke, J. Stähler 2015 Physical Review B

Influence of hydrogen on the structure and stability of ultra-thin ZnO on metal substrates

B. Bieniek, O. Hofmann, P. Rinke 2015 Applied Physics Letters

Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory

Paula Havu, Volker Blum, Ville Havu, Patrick Rinke, Matthias Scheffler 2010 Physical Review B