| Communication: Water on hexagonal boron nitride from diffusion Monte Carlo YS Al-Hamdani, M Ma, D Alfè, OA von Lilienfeld, A Michaelides The Journal of chemical physics 142 (18), 181101, 2015 | 44 | 2015 |
| How strongly do hydrogen and water molecules stick to carbon nanomaterials? YS Al-Hamdani, D Alfe, A Michaelides The Journal of Chemical Physics 146 (9), 094701, 2017 | 30 | 2017 |
| Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracy AM Yasmine S. Al-Hamdani, Mariana Rossi, Dario Alfè, Theodoros Tsatsoulis ... The Journal of Chemical Physics 147 (4), 44710, 2017 | 27 | 2017 |
| Water on BN doped benzene: A hard test for exchange-correlation functionals and the impact of exact exchange on weak binding YS Al-Hamdani, D Alfè, OA von Lilienfeld, A Michaelides The Journal of chemical physics 141 (18), 18C530, 2014 | 26 | 2014 |
| Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives YS Al-Hamdani, A Michaelides, OA von Lilienfeld The Journal of chemical physics 147 (16), 164113, 2017 | 19 | 2017 |
| Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: water and other small molecules YS Al-Hamdani, D Alfè, OA Von Lilienfeld, A Michaelides The Journal of chemical physics 144 (15), 154706, 2016 | 18 | 2016 |
| Understanding non-covalent interactions in larger molecular complexes from first principles YS Al-Hamdani, A Tkatchenko The Journal of chemical physics 150 (1), 010901, 2019 | 16 | 2019 |
| Interactions between Large Molecules: Puzzle for Reference Quantum-Mechanical Methods YS Al-Hamdani, PR Nagy, D Barton, M Kállay, JG Brandenburg, ... arXiv preprint arXiv:2009.08927, 2020 | 6 | 2020 |
| Ion-hydroxyl interactions: From high-level quantum benchmarks to transferable polarizable force fields V Wineman-Fisher, Y Al-Hamdani, I Addou, A Tkatchenko, S Varma Journal of chemical theory and computation 15 (4), 2444-2453, 2019 | 6 | 2019 |
| Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials M Stöhr, M Sadhukhan, YS Al-Hamdani, J Hermann, A Tkatchenko Nature communications 12 (1), 1-9, 2021 | 3 | 2021 |
| Improved description of ligand polarization enhances transferability of ion–ligand interactions V Wineman-Fisher, Y Al-Hamdani, PR Nagy, A Tkatchenko, S Varma The Journal of Chemical Physics 153 (9), 094115, 2020 | 2 | 2020 |
| Improved description of ligand polarization enhances transferability of ionic interactions V Wineman-Fisher, Y Al-Hamdani, A Tkatchenko, S Varma Biophysical Journal 118 (3), 338a-339a, 2020 | 1 | 2020 |
| van der Waals Interactions in Confined Spaces: Surprises Beyond the Random-Phase Approximation M Stoehr, M Sadhukhan, Y Al-Hamdani, J Hermann, A Tkatchenko Bulletin of the American Physical Society, 2021 | | 2021 |
| Predictive QM/MM Modeling of Modulations in Protein–Protein Binding by Lysine Methylation S Rahman, V Wineman-Fisher, Y Al-Hamdani, A Tkatchenko, S Varma Journal of Molecular Biology 433 (3), 166745, 2021 | | 2021 |
| High-quality hexagonal boron nitride from 2D distillation H Cun, Z Miao, A Hemmi, Y Al-Hamdani, M Iannuzzi, J Osterwalder, ... ACS nano, 2020 | | 2020 |
| Methyl-induced polarization weakens biochemical interactions of N-methylated lysines S Rahman, Y Al-Hamdani, S Varma ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 257, 2019 | | 2019 |
| Theoretical approach towards accurate molecular interactions with low dimensional substrates YS Al-Hamdani UCL (University College London), 2016 | | 2016 |
| Using quantum Monte Carlo for the interaction of water with carbon and BN based substrates and assessing exchange-correlation functionals Y Al-Hamdani, D Alfe, OA von Lilienfeld, A Michaelides APS March Meeting Abstracts 2016, X20. 007, 2016 | | 2016 |
Angelos MichaelidesUniversity of CambridgeVerified email at cam.ac.uk
