| Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions X Ren, P Rinke, V Blum, J Wieferink, A Tkatchenko, A Sanfilippo, K Reuter, ... New Journal of Physics 14 (5), 053020, 2012 | 808 | 2012 |
| DScribe: Library of descriptors for machine learning in materials science L Himanen, MOJ Jäger, EV Morooka, FF Canova, YS Ranawat, DZ Gao, ... Computer Physics Communications 247, 106949, 2020 | 798 | 2020 |
| Data‐driven materials science: status, challenges, and perspectives L Himanen, A Geurts, AS Foster, P Rinke Advanced Science 6 (21), 1900808, 2019 | 759 | 2019 |
| Hybrid functional studies of the oxygen vacancy in A Janotti, JB Varley, P Rinke, N Umezawa, G Kresse, CG Van de Walle Physical Review B—Condensed Matter and Materials Physics 81 (8), 085212, 2010 | 704 | 2010 |
| Random-phase approximation and its applications in computational chemistry and materials science X Ren, P Rinke, C Joas, M Scheffler Journal of Materials Science 47, 7447-7471, 2012 | 648 | 2012 |
| Indirect Auger recombination as a cause of efficiency droop in nitride light-emitting diodes E Kioupakis, P Rinke, KT Delaney, CG Van de Walle Applied Physics Letters 98 (16), 2011 | 630 | 2011 |
| Consistent set of band parameters for the group-III nitrides AlN, GaN, and InN P Rinke, M Winkelnkemper, A Qteish, D Bimberg, J Neugebauer, ... Physical Review B—Condensed Matter and Materials Physics 77 (7), 075202, 2008 | 497 | 2008 |
| Auger recombination rates in nitrides from first principles KT Delaney, P Rinke, CG Van de Walle Applied Physics Letters 94 (19), 2009 | 460 | 2009 |
| The GW Compendium: A Practical Guide to Theoretical Photoemission Spectroscopy D Golze, M Dvorak, P Rinke Frontiers in chemistry 7, 377, 2019 | 428 | 2019 |
| First-principles modeling of localized states with the approach H Jiang, RI Gomez-Abal, P Rinke, M Scheffler Physical Review B—Condensed Matter and Materials Physics 82 (4), 045108, 2010 | 423 | 2010 |
| GW100: Benchmarking G0W0 for Molecular Systems MJ Van Setten, F Caruso, S Sharifzadeh, X Ren, M Scheffler, F Liu, ... Journal of chemical theory and computation 11 (12), 5665-5687, 2015 | 397 | 2015 |
| Combining GW calculations with exact-exchange density-functional theory: an analysis of valence-band photoemission for compound semiconductors P Rinke, A Qteish, J Neugebauer, C Freysoldt, M Scheffler New Journal of physics 7 (1), 126, 2005 | 378 | 2005 |
| Electronic band structure of zirconia and hafnia polymorphs from the perspective H Jiang, RI Gomez-Abal, P Rinke, M Scheffler Physical Review B—Condensed Matter and Materials Physics 81 (8), 085119, 2010 | 361 | 2010 |
| Beyond the Random-Phase Approximation for the Electron Correlation Energy:<? format?> The Importance of Single Excitations X Ren, A Tkatchenko, P Rinke, M Scheffler Physical review letters 106 (15), 153003, 2011 | 269 | 2011 |
| Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and the Approach for the Silicon Self-Interstitial P Rinke, A Janotti, M Scheffler, CG Van de Walle Physical review letters 102 (2), 026402, 2009 | 268 | 2009 |
| Deep learning spectroscopy: Neural networks for molecular excitation spectra K Ghosh, A Stuke, M Todorović, PB Jørgensen, MN Schmidt, A Vehtari, ... Advanced science 6 (9), 1801367, 2019 | 261 | 2019 |
| Unified description of ground and excited states of finite systems: The self-consistent approach F Caruso, P Rinke, X Ren, M Scheffler, A Rubio Physical Review B—Condensed Matter and Materials Physics 86 (8), 081102, 2012 | 238 | 2012 |
| Benchmark of methods for azabenzenes N Marom, F Caruso, X Ren, OT Hofmann, T Körzdörfer, JR Chelikowsky, ... Physical Review B—Condensed Matter and Materials Physics 86 (24), 245127, 2012 | 224 | 2012 |
| Localized and Itinerant States in Lanthanide Oxides United by H Jiang, RI Gomez-Abal, P Rinke, M Scheffler Physical review letters 102 (12), 126403, 2009 | 219 | 2009 |
| Band gap and band parameters of InN and GaN from quasiparticle energy calculations based on exact-exchange density-functional theory P Rinke, M Scheffler, A Qteish, M Winkelnkemper, D Bimberg, ... Applied physics letters 89 (16), 161919-161919-3, 2006 | 211 | 2006 |
Matthias SchefflerDirector of NOMAD Laboratory at FHI of Max-Planck-GesellschaftVerified email at fhi-berlin.mpg.de
