| Graphene on metals: A van der Waals density functional study M Vanin, JJ Mortensen, AK Kelkkanen, JM Garcia-Lastra, KS Thygesen, ... Physical Review B 81 (8), 081408, 2010 | 531 | 2010 |
| Fast prediction of adsorption properties for platinum nanocatalysts with generalized coordination numbers F Calle‐Vallejo, JI Martínez, JM García‐Lastra, P Sautet, D Loffreda Angewandte Chemie International Edition 53 (32), 8316-8319, 2014 | 391 | 2014 |
| Self-energy and excitonic effects in the electronic and optical properties of TiO 2 crystalline phases L Chiodo, JM García-Lastra, A Iacomino, S Ossicini, J Zhao, H Petek, ... Physical Review B 82 (4), 045207, 2010 | 280 | 2010 |
| Polarization-induced renormalization of molecular levels at metallic and semiconducting surfaces JM Garcia-Lastra, C Rostgaard, A Rubio, KS Thygesen Physical Review B 80 (24), 245427, 2009 | 263 | 2009 |
| Bandgap calculations and trends of organometal halide perovskites IE Castelli, JM García-Lastra, KS Thygesen, KW Jacobsen APL Materials 2 (8), 081514, 2014 | 229 | 2014 |
| Physical and chemical nature of the scaling relations between adsorption energies of atoms on metal surfaces F Calle-Vallejo, JI Martínez, JM García-Lastra, J Rossmeisl, MTM Koper Physical review letters 108 (11), 116103, 2012 | 218 | 2012 |
| DFT+U Study of Polaronic Conduction in Li2O2 and Li2CO3: Implications for Li–Air Batteries JM Garcia-Lastra, JSG Myrdal, R Christensen, KS Thygesen, T Vegge The Journal of Physical Chemistry C 117 (11), 5568-5577, 2013 | 170 | 2013 |
| Stability and Electronic Properties of TiO2 Nanostructures With and Without B and N Doping DJ Mowbray, JI Martinez, JM García Lastra, KS Thygesen, KW Jacobsen The Journal of Physical Chemistry C 113 (28), 12301-12308, 2009 | 136 | 2009 |
| How covalence breaks adsorption-energy scaling relations and solvation restores them F Calle-Vallejo, A Krabbe, JM García-Lastra Chemical science 8 (1), 124-130, 2017 | 129 | 2017 |
| Renormalization of optical excitations in molecules near a metal surface JM Garcia-Lastra, KS Thygesen Physical Review Letters 106 (18), 187402, 2011 | 114 | 2011 |
| Copper-phthalocyanine based metal–organic interfaces: The effect of fluorination, the substrate, and its symmetry DG De Oteyza, A El-Sayed, JM Garcia-Lastra, E Goiri, TN Krauss, A Turak, ... The Journal of chemical physics 133 (21), 214703, 2010 | 114 | 2010 |
| Oxygen reduction and evolution at single-metal active sites: Comparison between functionalized graphitic materials and protoporphyrins F Calle-Vallejo, JI Martínez, JM García-Lastra, E Abad, MTM Koper Surface science 607, 47-53, 2013 | 111 | 2013 |
| Microscopic insight into properties and electronic instabilities of impurities in cubic and lower symmetry insulators: the influence of pressure M Moreno, MT Barriuso, JA Aramburu, P Garcia-Fernandez, ... Journal of Physics: Condensed Matter 18 (17), R315, 2006 | 108 | 2006 |
| Trends in stability of perovskite oxides F Calle‐Vallejo, JI Martínez, JM García‐Lastra, M Mogensen, J Rossmeisl Angewandte Chemie International Edition 49 (42), 7699-7701, 2010 | 99 | 2010 |
| Machine learning-based screening of complex molecules for polymer solar cells PB Jørgensen, M Mesta, S Shil, JM García Lastra, KW Jacobsen, ... The Journal of chemical physics 148 (24), 241735, 2018 | 95 | 2018 |
| Does the breaking of adsorption-energy scaling relations guarantee enhanced electrocatalysis? N Govindarajan, JM García-Lastra, EJ Meijer, F Calle-Vallejo Current Opinion in Electrochemistry 8, 110-117, 2018 | 92 | 2018 |
| Quantization of Hall Resistance at the Metallic Interface between an Oxide Insulator and F Trier, GEDK Prawiroatmodjo, Z Zhong, DV Christensen, M von Soosten, ... Physical Review Letters 117 (9), 096804, 2016 | 81 | 2016 |
| 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), 014101, 2009 | 81 | 2009 |
| Spectrochemical Series and the Dependence of Racah and 10Dq Parameters on the Metal−Ligand Distance: Microscopic Origin A Trueba, P Garcia-Fernandez, JM Garcia-Lastra, JA Aramburu, ... The Journal of Physical Chemistry A 115 (8), 1423-1432, 2011 | 78 | 2011 |
| A perspective on inverse design of battery interphases using multi-scale modelling, experiments and generative deep learning A Bhowmik, IE Castelli, JM Garcia-Lastra, PB Jørgensen, O Winther, ... Energy Storage Materials 21, 446-456, 2019 | 70 | 2019 |
Tejs VeggeProfessor, Technical University of DenmarkVerified email at dtu.dk
