| The atomic simulation environment—a Python library for working with atoms AH Larsen, JJ Mortensen, J Blomqvist, IE Castelli, R Christensen, ... Journal of Physics: Condensed Matter 29 (27), 273002, 2017 | 5323 | 2017 |
| Electronic structure calculations with GPAW: a real-space implementation of the projectoraugmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of physics: Condensed matter 22 (25), 253202, 2010 | 2666 | 2010 |
| The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals S Haastrup, M Strange, M Pandey, T Deilmann, PS Schmidt, NF Hinsche, ... 2D Materials 5 (4), 042002, 2018 | 1211 | 2018 |
| Computational screening of perovskite metal oxides for optimal solar light capture IE Castelli, T Olsen, S Datta, DD Landis, S Dahl, KS Thygesen, ... Energy & Environmental Science 5 (2), 5814-5819, 2012 | 551 | 2012 |
| Recent progress of the computational 2D materials database (C2DB) MN Gjerding, A Taghizadeh, A Rasmussen, S Ali, F Bertoldo, T Deilmann, ... 2D Materials 8 (4), 044002, 2021 | 533 | 2021 |
| Excitons in van der Waals heterostructures: The important role of dielectric screening S Latini, T Olsen, KS Thygesen arXiv preprint arXiv:1509.07972, 2015 | 362 | 2015 |
| How dielectric screening in two-dimensional crystals affects the convergence of excited-state calculations: Monolayer MoS F Hüser, T Olsen, KS Thygesen Physical Review B—Condensed Matter and Materials Physics 88 (24), 245309, 2013 | 341 | 2013 |
| self-consistent field method to obtain potential energy surfaces of excited molecules on surfaces J Gavnholt, T Olsen, M Engelund, J Schiøtz Physical Review B—Condensed Matter and Materials Physics 78 (7), 075441, 2008 | 263 | 2008 |
| Quasiparticle GW calculations for solids, molecules and 2D materials F Hüser, T Olsen, KS Thygesen arXiv preprint arXiv:1305.6512, 2013 | 260 | 2013 |
| Simple screened hydrogen model of excitons in two-dimensional materials T Olsen, S Latini, F Rasmussen, KS Thygesen Physical review letters 116 (5), 056401, 2016 | 259 | 2016 |
| 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 | 255 | 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, 092503, 2024 | 249 | 2024 |
| Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation T Olsen, J Yan, JJ Mortensen, KS Thygesen Physical review letters 107 (15), 156401, 2011 | 233 | 2011 |
| Random phase approximation applied to solids, molecules, and graphene-metal interfaces: From van der Waals to covalent bonding T Olsen, KS Thygesen Physical Review B Condensed Matter 87 (7), 075111, 2013 | 208 | 2013 |
| Classifying the electronic and optical properties of Janus monolayers AC Riis-Jensen, T Deilmann, T Olsen, KS Thygesen ACS nano 13 (11), 13354-13364, 2019 | 170 | 2019 |
| Defect Tolerance in Monolayer Transition Metal Dichalcogenides M Pandey, FA Rasmussen, K Kuhar, T Olsen, KW Jacobsen, ... Nano Letters 16, 2234, 2016 | 148 | 2016 |
| Calculating critical temperatures for ferromagnetic order in two-dimensional materials D Torelli, T Olsen 2D Materials 6, 015028, 2018 | 134 | 2018 |
| High throughput computational screening for 2D ferromagnetic materials: the critical role of anisotropy and local correlations D Torelli, KS Thygesen, T Olsen 2D Materials 6, 045018, 2019 | 129 | 2019 |
| High-throughput computational screening for two-dimensional magnetic materials based on experimental databases of three-dimensional compounds D Torelli, H Moustafa, KW Jacobsen, T Olsen npj Computational Materials 6, 158, 2020 | 115 | 2020 |
| Two-dimensional altermagnets from high throughput computational screening: Symmetry requirements, chiral magnons, and spin-orbit effects J Sødequist, T Olsen Applied Physics Letters 124, 182409, 2024 | 104 | 2024 |
Kristian Sommer ThygesenProfessor of Theoretical Physics, Technical University of DenmarkVerified email at fysik.dtu.dk
