| Computational screening of rutile oxides for electrochemical ammonia formation AB Hoskuldsson, Y Abghoui, AB Gunnarsdottir, E Skulason ACS Sustainable Chemistry & Engineering 5 (11), 10327-10333, 2017 | 159 | 2017 |
| Perspectives on the Competition between the Electrochemical Water and N2 Oxidation on a TiO2(110) Electrode E Tayyebi, AB Hoskuldsson, A Wark, N Atrak, BM Comer, AJ Medford, ... The Journal of Physical Chemistry Letters 13 (26), 6123-6129, 2022 | 28 | 2022 |
| Computational examination of the kinetics of electrochemical nitrogen reduction and hydrogen evolution on a tungsten electrode ÁB Höskuldsson, E Tayyebi, E Skúlason Journal of Catalysis 404, 362-370, 2021 | 24 | 2021 |
| High-throughput computational screening of doped transition metal oxides as catalysts for nitrogen reduction ÁB Höskuldsson, T Dang, Y Sakai, A Ishikawa, E Skulason Cell Reports Physical Science 4 (10), 2023 | 12 | 2023 |
| Towards improved stability of transition metal nitrides in aqueous solutions X Li, AB Gunnarsdóttir, V Pershina, ÁB Höskuldsson, MF Hidalgo, ... Progress in Solid State Chemistry 75, 100474, 2024 | 7 | 2024 |
| Self-supervised learning with atom replacement for catalyst energy prediction by graph neural networks Y Sakai, T Dang, S Fukuta, K Shirahata, A Ishikawa, A Inoue, ... Procedia Computer Science 222, 458-467, 2023 | 6 | 2023 |
| Modeling electrochemical nitrogen reduction ÁB Höskuldsson, Y Sakai, E Skúlason Chem Catalysis 5 (2), 2025 | 5 | 2025 |
| Correction to “Computational Screening of Rutile Oxides for Electrochemical Ammonia Formation” AB Hoskuldsson, Y Abghoui, AB Gunnarsdottir, E Skulason ACS Sustainable Chemistry & Engineering 9 (23), 8012-8014, 2021 | 4 | 2021 |
| Machine learning in electrocatalysis-Living up to the hype? ÁB Höskuldsson Current Opinion in Electrochemistry, 101649, 2025 | 3 | 2025 |
| Active Learning for Graph Neural Networks Training in Catalyst Energy Prediction Y Sakai, N Matsumura, A Inoue, H Kawaguchi, D Thang, A Ishikawa, ... 2024 International Joint Conference on Neural Networks (IJCNN), 1-8, 2024 | 1 | 2024 |
| Understanding the Activity and Stability of Vanadium Oxynitride Thin Films for N2 Reduction to Ammonia by Combining Theory and Operando Measurements J Wang, JM Kuorak, T Priamushko, AB Gunnarsdóttir, K Stojanovski, ... Small Methods 9 (12), e01448, 2025 | | 2025 |
| Understanding the Activity and Stability of Vanadium Oxynitride Thin Films for N2 Reduction Reaction by Operando Measurements J Wang, JM Kurak, AB Gunnarsdóttir, T Priamushko, K Stojanovski, ... Proceedings of MATSUS Spring 2025 Conference (MATSUSSpring25), 2024 | | 2024 |
| Modelling nitrogen fixation on transition metal-based electrocatalysts ÁB Höskuldsson University of Iceland, School of Engineering and Natural Sciences, Faculty …, 2023 | | 2023 |
