Journal article-refereed, Original researchFirst-principles supercell calculations of small polarons with proper account for long-range polarization effects
Kokott, Sebastian; Levchenko, Sergey V.; Rinke, Patrick; Scheffler, Matthias
2018 in NEW JOURNAL OF PHYSICS (IOP PUBLISHING LTD)ISSN: 1367-2630
Doping dependence of the surface phase stability of polar O-terminated (000) ZnO
Erker, Simon; Rinke, Patrick; Moll, Nikolaj; Hofmann, Oliver T.
2017 in NEW JOURNAL OF PHYSICS (IOP PUBLISHING LTD)ISSN: 1367-2630
Band Bending Engineering at Organic/Inorganic Interfaces Using Organic Self-Assembled Monolayers
Hofmann, Oliver T.; Rinke, Patrick
2017 in Advanced Electronic Materials (Wiley)ISSN: 2199-160X
On the Monte Carlo Description of Hot Carrier Effects and Device Characteristics of III-N LEDs
Kivisaari, Pyry; Sadi, Toufik; Li, Jingrui; Rinke, Patrick; Oksanen, Jani
2017 in Advanced Electronic Materials (Wiley)ISSN: 2199-160X
Charge-Transfer-Driven Nonplanar Adsorption of F4TCNQ Molecules on Epitaxial Graphene
Kumar, Avijit; Banerjee, Kaustuv; Dvorak, Marc; Schulz, Fabian; Harju, Ari; Rinke, Patrick; Liljeroth, Peter
2017 in ACS NANO (American Chemical Society ACS)ISSN: 1936-0851
Lattice dynamics calculations based on density-functional perturbation theory in real space
Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias
2017 in COMPUTER PHYSICS COMMUNICATIONS (Elsevier Science B.V.)ISSN: 0010-4655
Global and local aspects of the surface potential landscape for energy level alignment at organic-ZnO interfaces
Stähler, Julia; Rinke, Patrick
2017 in CHEMICAL PHYSICS (Elsevier Science B.V.)ISSN: 0301-0104
Enforcing the linear behavior of the total energy with hybrid functionals Implications for charge transfer, interaction energies, and the random-phase approximation
Atalla, Viktor; Zhang, Igor Ying; Hofmann, Oliver T.; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias
2016 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Benchmark of GW Approaches for the GW100 Test Set
Caruso, Fabio; Dauth, Matthias; Van Setten, Michiel J.; Rinke, Patrick
2016 in JOURNAL OF CHEMICAL THEORY AND COMPUTATION (AMER CHEMICAL SOC)ISSN: 1549-9618
Density functional theory study of the α-γ phase transition in cerium Role of electron correlation and f -orbital localization
Casadei, Marco; Ren, Xinguo; Rinke, Patrick; Rubio, Angel; Scheffler, Matthias
2016 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Self-consistent Green's function embedding for advanced electronic structure methods based on a dynamical mean-field concept
Chibani, Wael; Ren, Xinguo; Scheffler, Matthias; Rinke, Patrick
2016 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Piecewise linearity in the GW approximation for accurate quasiparticle energy predictions
Dauth, Matthias; Caruso, Fabio; Kümmel, Stephan; Rinke, Patrick
2016 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules II Non-Empirically Tuned Long-Range Corrected Hybrid Functionals
Gallandi, Lukas; Marom, Noa; Rinke, Patrick; Körzdörfer, Thomas
2016 in JOURNAL OF CHEMICAL THEORY AND COMPUTATION (AMER CHEMICAL SOC)ISSN: 1549-9618
Accurate Ionization Potentials and Electron Affinities of Acceptor Molecules III A Benchmark of GW Methods
Knight, Joseph W.; Wang, Xiaopeng; Gallandi, Lukas; Dolgounitcheva, Olga; Ren, Xinguo; Ortiz, J. Vincent; Rinke, Patrick; Körzdörfer, Thomas; Marom, Noa
2016 in JOURNAL OF CHEMICAL THEORY AND COMPUTATION (AMER CHEMICAL SOC)ISSN: 1549-9618
Atomic structure of metal-halide perovskites from first principles The chicken-and-egg paradox of the organic-inorganic interaction
Li, Jingrui; Rinke, Patrick
2016 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Towards Efficient Orbital-Dependent Density Functionals for Weak and Strong Correlation
Zhang, Igor Ying; Rinke, Patrick; Perdew, John P.; Scheffler, Matthias
2016 in PHYSICAL REVIEW LETTERS (AMERICAN PHYSICAL SOC)ISSN: 0031-9007
Wave-function inspired density functional applied to the H2/H2 + challenge
Zhang, Igor Ying; Rinke, Patrick; Scheffler, Matthias
2016 in NEW JOURNAL OF PHYSICS (IOP PUBLISHING LTD)ISSN: 1367-2630
Influence of hydrogen on the structure and stability of ultra-thin ZnO on metal substrates
Bieniek, B.; Hofmann, O.; Rinke, P.
2015 in APPLIED PHYSICS LETTERS (AMER INST PHYSICS)ISSN: 0003-6951
Local aspects of hydrogen-induced metallization of the ZnO(10-10) surface
Deinert, J. C.; Hofmann, O. T.; Meyer, M.; Rinke, P.; Stähler, J.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Static correlation and electron localization in molecular dimers from the self-consistent RPA and GW approximation
Hellgren, M.; Caruso, F.; Rohr, D.R.; Ren, X.; Rubio, A.; Scheffler, M.; Rinke, P.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Correction to Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Hofmann, O.T.; Rinke, P.; Scheffler, M.; Heimel, G.
2015 in ACS NANO (American Chemical Society ACS)ISSN: 1936-0851
Integer versus Fractional Charge Transfer at Metal(/Insulator)/Organic Interfaces: Cu(/NaCl)/TCNE
Hofmann, O.T.; Rinke, P.; Scheffler, M.; Heimel, G.
2015 in ACS NANO (American Chemical Society ACS)ISSN: 1936-0851
Accurate localized resolution of identity approach for linear-scaling hybrid density functionals and for many-body perturbation theory,
Ihrig, A.C.; Wieferink, J.; Zhang, I.Y.; Ropo, M.; Ren, X.; Rinke, P.; Scheffler, M.; Blum, V.
2015 in NEW JOURNAL OF PHYSICS (IOP PUBLISHING LTD)ISSN: 1367-2630
First-principles calculations of indirect Auger recombination in nitride semiconductors
Kioupakis, E.; Steiauf, D.; Rinke, P.; Delaney, K.T.; Van de Walle, C.G.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Hybrid functionals for large periodic systems in an all-electron, numeric atom-centered basis framework
Levchenko, S.V.; Ren, X.; Wieferink, J.; Johanni, R.; Rinke, P.; Blum, V.; Scheffler, M.
2015 in MICROFLUIDICS AND NANOFLUIDICS (Springer Verlag)ISSN: 1613-4982
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
Nemec, L.; Lazarevic, F.; Rinke, P.; Scheffler, M.; Blum, V.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Length dependence of ionization potentials of transacetylenes: Internally consistent DFT/GW approach
Pinheiro, M.; Caldas, M.J.; Rinke, P.; Blum, V.; Scheffler, M.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Beyond the GW approximation: A second-order screened exchange correction
Ren, X.; Marom, N.; Caruso, F.; Scheffler, M.; Rinke, Patrick
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 2469-9950
GW100: Benchmarking G0W0 for Molecular Systems
Setten, M.J. v.; Caruso, F.; Sharifzadeh, S.; Ren, X.; Scheffler, M.; Liu, F.; Lischner, J.; Lin, L.; Deslippe, J.R.; Louie, S.G.; Yang, C.; Weigend, F.; Neaton, J.B.; Evers, F.; Rinke, Patrick
2015 in JOURNAL OF CHEMICAL THEORY AND COMPUTATION (AMER CHEMICAL SOC)ISSN: 1549-9618
Corrigendum: Evidence for photogenerated intermediate hole polarons in ZnO
Sezen, H.; Shang, H.; Bebensee, F.; Yang, C.; Buchholz, M.; Nefedov, A.; Heissler, S.; Carbogno, C.; Scheffler, M.; Rinke, P.; Woll, C.
2015 in NATURE COMMUNICATIONS (NATURE PUBLISHING GROUP)ISSN: 2041-1723
Evidence for photogenerated intermediate hole polarons in ZnO
Sezen, H.; Shang, H.; Bebensee, F.; Yang, C.; Buchholz, M.; Nefedov, A.; Heissler, S.; Carbogno, C.; Scheffler, M.; Rinke, P.; Wöll, C.
2015 in NATURE COMMUNICATIONS (NATURE PUBLISHING GROUP)ISSN: 2041-1723
Approaching Truly Freestanding Graphene: The Structure of Hydrogen-Intercalated Graphene on 6H-SiC(0001)
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.
2015 in PHYSICAL REVIEW LETTERS (AMERICAN PHYSICAL SOC)ISSN: 0031-9007
Multiscale approach to the electronic structure of doped semiconductor surfaces
Sinai, O.; Hofmann, O.T.; Rinke, Patrick; Scheffler, M.; Heimel, G.; Kronik, L.
2015 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Large-scale surface reconstruction energetics of Pt(100) and Au(100) by all-electron density functional theory
Havu, Paula; Blum, Volker; Havu, Ville; Rinke, Patrick; Scheffler, Matthias
2010 in PHYSICAL REVIEW B (AMER PHYSICAL SOC)ISSN: 1098-0121
Conference proceedingsBipolar Monte Carlo simulation of hot carriers in III-N LEDs
Kivisaari, Pyry; Sadi, Toufik; Li, Jingrui; Georgiev, Vihar; Oksanen, Jani; Rinke, Patrick; Tulkki, Jukka
2015 ISBN: 978-1-4799-8379-7
Bipolar Monte Carlo simulation of hot carriers in III-N LEDs
Kivisaari, Pyry; Sadi, Toufik; Li, Jingrui; Georgiev, Vihar; Oksanen, Jani; Rinke, Patrick; Tulkki, Jukka
2015 in International Conference on Simulation of Semiconductor Processes and Devices (Institute of Electrical and Electronics Engineers Inc.)ISBN: 9781467378581
ISSN: 1946-1569
Non-refereed scientific articles
Unrefereed journal articlesSpecial Issue Materials Platform at Aalto University
Rojas, Orlando J.; Rinke, Patrick
2017 in Advanced Electronic Materials (Wiley)ISSN: 2199-160X
Scientific books (monographs)
Book (editor)Special Issue Materials Platform at Aalto University
Rojas Gaona, Orlando; Rinke, Patrick
2017 in Advanced Electronic Materials (Wiley)ISSN: 2199-160X