| From the Sabatier principle to a predictive theory of transition-metal heterogeneous catalysis AJ Medford, A Vojvodic, JS Hummelshøj, J Voss, F Abild-Pedersen, ... Journal of Catalysis 328, 36-42, 2015 | 1752 | 2015 |
| Twin Problems of Interfacial Carbonate Formation in Nonaqueous Li–O2 Batteries BD McCloskey, A Speidel, R Scheffler, DC Miller, V Viswanathan, ... The journal of physical chemistry letters 3 (8), 997-1001, 2012 | 1221 | 2012 |
| Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol F Studt, I Sharafutdinov, F Abild-Pedersen, CF Elkjær, JS Hummelshøj, ... Nature chemistry 6 (4), 320-324, 2014 | 1086 | 2014 |
| Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries V Viswanathan, KS Thygesen, JS Hummelshøj, JK Nørskov, ... The Journal of chemical physics 135 (21), 2011 | 636 | 2011 |
| Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery JS Hummelshøj, J Blomqvist, S Datta, T Vegge, J Rossmeisl, ... The Journal of chemical physics 132 (7), 2010 | 480 | 2010 |
| Theoretical evidence for low kinetic overpotentials in Li-O2 electrochemistry JS Hummelshøj, AC Luntz, JK Nørskov The Journal of chemical physics 138 (3), 2013 | 273 | 2013 |
| Indirect, reversible high-density hydrogen storage in compact metal ammine salts RZ Sørensen, JS Hummelshøj, A Klerke, JB Reves, T Vegge, JK Nørskov, ... Journal of the American Chemical Society 130 (27), 8660-8668, 2008 | 228 | 2008 |
| The computational materials repository DD Landis, JS Hummelshøj, S Nestorov, J Greeley, M Dułak, T Bligaard, ... Computing in Science & Engineering 14 (6), 51-57, 2012 | 225 | 2012 |
| Genetic algorithms for computational materials discovery accelerated by machine learning PC Jennings, S Lysgaard, JS Hummelshøj, T Vegge, T Bligaard NPJ Computational Materials 5 (1), 46, 2019 | 201 | 2019 |
| CatApp: A web application for surface chemistry and heterogeneous catalysis JS Hummelshøj, F Abild-Pedersen,, F Studt, T Bligaard, JK Norskov ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012 | 160 | 2012 |
| CatApp: A web application for surface chemistry and heterogeneous catalysis JS Hummelshøj, F Abild‐Pedersen, F Studt, T Bligaard, JK Nørskov Angewandte Chemie 124 (1), 278-280, 2012 | 160 | 2012 |
| The role of transition metal interfaces on the electronic transport in lithium–air batteries J Chen, JS Hummelshøj, KS Thygesen, JSG Myrdal, JK Nørskov, T Vegge Catalysis Today 165 (1), 2-9, 2011 | 114 | 2011 |
| Network analysis of synthesizable materials discovery M Aykol, VI Hegde, L Hung, S Suram, P Herring, C Wolverton, ... Nature communications 10 (1), 2018, 2019 | 106 | 2019 |
| Experimental and computational studies on structural transitions in the LiBH4–LiI pseudobinary system H Oguchi, M Matsuo, JS Hummelshøj, T Vegge, JK Nørskov, T Sato, ... Applied Physics Letters 94 (14), 2009 | 100 | 2009 |
| Structural stability and decomposition of Mg (BH4) 2 isomorphs—an ab initio free energy study J Voss, JS Hummelshøj, Z Łodziana, T Vegge Journal of Physics: Condensed Matter 21 (1), 012203, 2008 | 100 | 2008 |
| OPTIMADE, an API for exchanging materials data CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ... Scientific data 8 (1), 217, 2021 | 96 | 2021 |
| Rational solid-state synthesis routes for inorganic materials M Aykol, JH Montoya, J Hummelshøj Journal of the American Chemical Society 143 (24), 9244-9259, 2021 | 95 | 2021 |
| 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 | 86 | 2009 |
| 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 | 83 | 2020 |
| Generation of Nanopores during Desorption of NH3 from Mg(NH3)6Cl2 JS Hummelshøj, RZ Sørensen, MY Kustova, T Johannessen, JK Nørskov, ... Journal of the American Chemical Society 128 (1), 16-17, 2006 | 81 | 2006 |
