Heterogeneous trimetallic nanoparticles as catalysts JWM Crawley, IE Gow, N Lawes, I Kowalec, L Kabalan, CRA Catlow, ... Chemical Reviews 122 (6), 6795-6849, 2022 | 94 | 2022 |
A computational study of direct CO 2 hydrogenation to methanol on Pd surfaces I Kowalec, L Kabalan, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 24 (16), 9360-9373, 2022 | 17 | 2022 |
A computational study of the properties of low-and high-index Pd, Cu and Zn surfaces L Kabalan, I Kowalec, CRA Catlow, AJ Logsdail Physical Chemistry Chemical Physics 23 (27), 14649-14661, 2021 | 17 | 2021 |
Roadmap on Data-Centric Materials Science S Bauer, P Benner, T Bereau, V Blum, M Boley, C Carbogno, R Catlow, ... Modelling and Simulation in Materials Science and Engineering, 2024 | 3 | 2024 |
Investigation of the Pd (1− x) Zn x alloy phase diagram using ab initio modelling approaches L Kabalan, I Kowalec, S Rigamonti, M Troppenz, C Draxl, CRA Catlow, ... Journal of Physics: Condensed Matter 35 (40), 405402, 2023 | 3 | 2023 |
Roadmap on Data-Centric Materials Science M Scheffler, S Bauer, P Benner, T Bereau, V Blum, M Boley, C Carbogno, ... | 1 | 2024 |
A Computational Study of Direct CO2 Hydrogenation to Methanol on Pd Catalysts I Kowalec, L Kabalan, R Catlow, A Logsdail | 1 | 2022 |
Surfaces of Pd-based alloys as catalysts for CO2 activation and hydrogenation to methanol I Kowalec Cardiff University, 2023 | | 2023 |
A Computational Study of the Properties of Pd, Cu and Zn Surface L Kabalan, I Kowalec, R Catlow, A Logsdail | | 2021 |
Surface structure and stoichiometry of PdZn alloys under realistic (T, p) conditions Y Zhou, L Kabalan, I Kowalec, L Ghiringhelli, S Levchenko, A Logsdail, ... APS March Meeting Abstracts 2021, V46. 011, 2021 | | 2021 |
Theory: general discussion M Anand, F Baletto, A Bugaev, R Catlow, M Claeys, M Conway, ... Faraday Discussions 229, 131-160, 2021 | | 2021 |
4.5: Data-Driven Approaches for Heterogeneous Catalysis AJ Logsdail, CRA Catlow, L Kabalan, I Kowalec, Z Lu Roadmap on Data-Centric Materials Science, 75, 0 | | |
Poster List 2023 of The NOMAD Laboratory S Kokott, F Merz, C Carbogno, A Marek, P Karpov, M Rossi, M Rampp, ... | | |