| 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 | 4097 | 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 | 2513 | 2010 |
| Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems X Andrade, D Strubbe, U De Giovannini, AH Larsen, MJT Oliveira, ... Physical Chemistry Chemical Physics 17 (47), 31371-31396, 2015 | 590 | 2015 |
| Localized atomic basis set in the projector augmented wave method AH Larsen, M Vanin, JJ Mortensen, KS Thygesen, KW Jacobsen Physical Review B—Condensed Matter and Materials Physics 80 (19), 195112, 2009 | 438 | 2009 |
| 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 | 400 | 2021 |
| Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems N Tancogne-Dejean, MJT Oliveira, X Andrade, H Appel, CH Borca, ... The Journal of chemical physics 152 (12), 2020 | 382 | 2020 |
| Investigation of Catalytic Finite-Size-Effects of Platinum Metal Clusters L Li, AH Larsen, NA Romero, V Morozov, C Glinsvad, F Abild-Pedersen, ... The Journal of Physical Chemistry Letters, 2012 | 352 | 2012 |
| Finite size effects in chemical bonding: From small clusters to solids J Kleis, J Greeley, NA Romero, VA Morozov, H Falsig, AH Larsen, J Lu, ... Catalysis Letters 141, 1067-1071, 2011 | 311 | 2011 |
| 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 | 217 | 2015 |
| Balance of nanostructure and bimetallic interactions in Pt model fuel cell catalysts: in situ XAS and DFT study D Friebel, V Viswanathan, DJ Miller, T Anniyev, H Ogasawara, AH Larsen, ... Journal of the American Chemical Society 134 (23), 9664-9671, 2012 | 155 | 2012 |
| Modeling electron dynamics coupled to continuum states in finite volumes with absorbing boundaries U De Giovannini, AH Larsen, A Rubio The European Physical Journal B 88, 1-12, 2015 | 104 | 2015 |
| 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 | 100 | 2024 |
| Density functional theory based screening of ternary alkali-transition metal borohydrides: A computational material design project JS Hummelshøj, DD Landis, J Voss, T Jiang, A Tekin, N Bork, M Dułak, ... The Journal of chemical physics 131 (1), 2009 | 88 | 2009 |
| Atomic simulation recipes: A python framework and library for automated workflows M Gjerding, T Skovhus, A Rasmussen, F Bertoldo, AH Larsen, ... Computational Materials Science 199, 110731, 2021 | 68 | 2021 |
| Electronic shell structure and chemisorption on gold nanoparticles AH Larsen, J Kleis, KS Thygesen, JK Nørskov, KW Jacobsen Physical Review B—Condensed Matter and Materials Physics 84 (24), 245429, 2011 | 67 | 2011 |
| Climbing the activity volcano: core–shell Ru@ Pt electrocatalysts for oxygen reduction A Jackson, V Viswanathan, AJ Forman, AH Larsen, JK Nørskov, ... ChemElectroChem 1 (1), 67-71, 2014 | 64 | 2014 |
| libvdwxc: A library for exchange–correlation functionals in the vdW-DF family AH Larsen, M Kuisma, J Löfgren, Y Pouillon, P Erhart, P Hyldgaard arXiv preprint arXiv:1703.06999, 2017 | 44 | 2017 |
| The CECAM electronic structure library and the modular software development paradigm MJT Oliveira, N Papior, Y Pouillon, V Blum, E Artacho, D Caliste, ... The Journal of chemical physics 153 (2), 2020 | 37 | 2020 |
| Stark ionization of atoms and molecules within density functional resonance theory AH Larsen, U De Giovannini, DL Whitenack, A Wasserman, A Rubio The Journal of Physical Chemistry Letters 4 (16), 2734-2738, 2013 | 26 | 2013 |
| 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 | 25 | 2021 |
Kristian Sommer ThygesenProfessor of Theoretical Physics, Technical University of DenmarkDirección de correo verificada de fysik.dtu.dk
