| 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 | 2506 | 2010 |
| Kohn-Sham potential with discontinuity for band gap materials M Kuisma, J Ojanen, J Enkovaara, TT Rantala Physical Review B—Condensed Matter and Materials Physics 82 (11), 115106, 2010 | 324 | 2010 |
| Localized surface plasmon resonance in silver nanoparticles: Atomistic first-principles time-dependent density-functional theory calculations M Kuisma, A Sakko, TP Rossi, AH Larsen, J Enkovaara, L Lehtovaara, ... Physical Review B 91 (11), 115431, 2015 | 216 | 2015 |
| Grand-canonical approach to density functional theory of electrocatalytic systems: Thermodynamics of solid-liquid interfaces at constant ion and electrode potentials MM Melander, MJ Kuisma, TEK Christensen, K Honkala The Journal of chemical physics 150 (4), 2019 | 208 | 2019 |
| Interlayer exciton dynamics in van der Waals heterostructures S Ovesen, S Brem, C Linderälv, M Kuisma, T Korn, P Erhart, M Selig, ... Communications Physics 2 (1), 23, 2019 | 174 | 2019 |
| Kohn–Sham decomposition in real-time time-dependent density-functional theory: An efficient tool for analyzing plasmonic excitations TP Rossi, M Kuisma, MJ Puska, RM Nieminen, P Erhart Journal of Chemical Theory and Computation 13 (10), 4779-4790, 2017 | 150 | 2017 |
| Low molecular weight norbornadiene derivatives for molecular solar‐thermal energy storage M Quant, A Lennartson, A Dreos, M Kuisma, P Erhart, K Börjesson, ... Chemistry–A European Journal 22 (37), 13265-13274, 2016 | 145 | 2016 |
| Hot-carrier generation in plasmonic nanoparticles: the importance of atomic structure TP Rossi, P Erhart, M Kuisma ACS nano 14 (8), 9963-9971, 2020 | 134 | 2020 |
| Plasmon-induced direct hot-carrier transfer at metal–acceptor interfaces PV Kumar, TP Rossi, D Marti-Dafcik, D Reichmuth, M Kuisma, P Erhart, ... ACS nano 13 (3), 3188-3195, 2019 | 105 | 2019 |
| Comparative ab-initio study of substituted norbornadiene-quadricyclane compounds for solar thermal storage MJ Kuisma, AM Lundin, K Moth-Poulsen, P Hyldgaard, P Erhart The Journal of Physical Chemistry C 120 (7), 3635-3645, 2016 | 104 | 2016 |
| 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 | 99 | 2024 |
| Direct hot-carrier transfer in plasmonic catalysis PV Kumar, TP Rossi, M Kuisma, P Erhart, DJ Norris Faraday discussions 214, 189-197, 2019 | 64 | 2019 |
| Optimization of norbornadiene compounds for solar thermal storage by first‐principles calculations M Kuisma, A Lundin, K Moth‐Poulsen, P Hyldgaard, P Erhart ChemSusChem 9 (14), 1786-1794, 2016 | 55 | 2016 |
| Theory of hot electrons: general discussion J Aizpurua, F Baletto, J Baumberg, P Christopher, B De Nijs, ... Faraday discussions 214, 245-281, 2019 | 44 | 2019 |
| libvdwxc: A library for exchange–correlation functionals in the vdW-DF family AH Larsen, M Kuisma, J Löfgren, Y Pouillon, P Erhart, P Hyldgaard Modelling and Simulation in Materials Science and Engineering 25 (6), 065004, 2017 | 44 | 2017 |
| Porphyrin adsorbed on the (101 [combining macron] 0) surface of the wurtzite structure of ZnO–conformation induced effects on the electron transfer characteristics M Niskanen, M Kuisma, O Cramariuc, V Golovanov, TI Hukka, ... Physical Chemistry Chemical Physics 15 (40), 17408-17418, 2013 | 43 | 2013 |
| Ultrastrong coupling of a single molecule to a plasmonic nanocavity: a first-principles study M Kuisma, B Rousseaux, KM Czajkowski, TP Rossi, T Shegai, P Erhart, ... ACS photonics 9 (3), 1065-1077, 2022 | 39 | 2022 |
| Hot-carrier transfer across a nanoparticle–molecule junction: The importance of orbital hybridization and level alignment J Fojt, TP Rossi, M Kuisma, P Erhart Nano Letters 22 (21), 8786-8792, 2022 | 37 | 2022 |
| Plasmon excitations in mixed metallic nanoarrays KM Conley, N Nayyar, TP Rossi, M Kuisma, V Turkowski, MJ Puska, ... ACS nano 13 (5), 5344-5355, 2019 | 34 | 2019 |
| Real-time time-dependent density functional theory implementation of electronic circular dichroism applied to nanoscale metal–organic clusters E Makkonen, TP Rossi, AH Larsen, O Lopez-Acevedo, P Rinke, M Kuisma, ... The Journal of Chemical Physics 154 (11), 2021 | 24 | 2021 |
