| Machine learning for computational heterogeneous catalysis P Schlexer Lamoureux, KT Winther, JA Garrido Torres, V Streibel, M Zhao, ... ChemCatChem 11 (16), 3581-3601, 2019 | 327 | 2019 |
| Dielectric genome of van der Waals heterostructures K Andersen, S Latini, KS Thygesen Nano letters 15 (7), 4616-4621, 2015 | 258 | 2015 |
| Catalysis-Hub. org, an open electronic structure database for surface reactions KT Winther, MJ Hoffmann, JR Boes, O Mamun, M Bajdich, T Bligaard Scientific data 6 (1), 75, 2019 | 256 | 2019 |
| Interlayer Excitons and Band Alignment in MoS2/hBN/WSe2 van der Waals Heterostructures S Latini, KT Winther, T Olsen, KS Thygesen Nano letters 17 (2), 938-945, 2017 | 234 | 2017 |
| High-throughput calculations of catalytic properties of bimetallic alloy surfaces O Mamun, KT Winther, JR Boes, T Bligaard Scientific data 6 (1), 76, 2019 | 115 | 2019 |
| Active learning accelerated discovery of stable iridium oxide polymorphs for the oxygen evolution reaction RA Flores, C Paolucci, KT Winther, A Jain, JAG Torres, M Aykol, ... Chemistry of Materials 32 (13), 5854-5863, 2020 | 114 | 2020 |
| Efficient many-body calculations for two-dimensional materials using exact limits for the screened potential: Band gaps of -BN, and phosphorene FA Rasmussen, PS Schmidt, KT Winther, KS Thygesen Physical Review B 94 (15), 155406, 2016 | 112 | 2016 |
| Graph theory approach to high-throughput surface adsorption structure generation JR Boes, O Mamun, K Winther, T Bligaard The Journal of Physical Chemistry A 123 (11), 2281-2285, 2019 | 97 | 2019 |
| Band structure engineering in van der Waals heterostructures via dielectric screening: the GΔW method KT Winther, KS Thygesen 2D Materials 4 (2), 025059, 2017 | 93 | 2017 |
| GPAW: An open Python package for electronic structure calculations JJ Mortensen, AH Larsen, M Kuisma, AV Ivanov, A Taghizadeh, ... The Journal of Chemical Physics 160 (9), 2024 | 90 | 2024 |
| Autonomous intelligent agents for accelerated materials discovery JH Montoya, KT Winther, RA Flores, T Bligaard, JS Hummelshøj, M Aykol Chemical Science 11 (32), 8517-8532, 2020 | 88 | 2020 |
| Synergistic effects of mixing and strain in high entropy spinel oxides for oxygen evolution reaction J Baek, MD Hossain, P Mukherjee, J Lee, KT Winther, J Leem, Y Jiang, ... Nature Communications 14 (1), 5936, 2023 | 84 | 2023 |
| Probing the local nature of excitons and plasmons in few-layer MoS2 HC Nerl, KT Winther, FS Hage, KS Thygesen, L Houben, C Backes, ... npj 2D Materials and Applications 1 (1), 2, 2017 | 78 | 2017 |
| Plasmons in metallic monolayer and bilayer transition metal dichalcogenides K Andersen, KS Thygesen Physical Review B—Condensed Matter and Materials Physics 88 (15), 155128, 2013 | 66 | 2013 |
| A Bayesian framework for adsorption energy prediction on bimetallic alloy catalysts O Mamun, KT Winther, JR Boes, T Bligaard npj Computational Materials 6 (1), 177, 2020 | 59 | 2020 |
| Visualizing hybridized quantum plasmons in coupled nanowires: From classical to tunneling regime K Andersen, KL Jensen, NA Mortensen, KS Thygesen Physical Review B—Condensed Matter and Materials Physics 87 (23), 235433, 2013 | 58 | 2013 |
| Spatially resolved quantum plasmon modes in metallic nano-films from first-principles K Andersen, KW Jacobsen, KS Thygesen Physical Review B—Condensed Matter and Materials Physics 86 (24), 245129, 2012 | 51 | 2012 |
| Efficient and stable acidic water oxidation enabled by low-concentration, high-valence iridium sites X Shi, HJ Peng, TJP Hersbach, Y Jiang, Y Zeng, J Baek, KT Winther, ... ACS Energy Letters 7 (7), 2228-2235, 2022 | 49 | 2022 |
| Plasmons on the edge of nanostructures K Andersen, KW Jacobsen, KS Thygesen Physical Review B 90 (16), 161410, 2014 | 45 | 2014 |
| Local plasmon engineering in doped graphene FS Hage, TP Hardcastle, MN Gjerding, DM Kepaptsoglou, CR Seabourne, ... ACS nano 12 (2), 1837-1848, 2018 | 37 | 2018 |
Kristian Sommer ThygesenProfessor of Theoretical Physics, Technical University of DenmarkVerified email at fysik.dtu.dk