Yasmine S. Al-Hamdani
TitleCited byYear
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
362015
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
252014
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
182017
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
132017
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
102016
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
62017
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, 2019
2019
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
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 Meeting Abstracts, 2016
2016
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Articles 1–10