Yasmine S. Al-Hamdani
Title
Cited by
Cited by
Year
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
422015
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
262014
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
252017
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
212017
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
142017
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
142016
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
92019
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
22019
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
arXiv preprint arXiv:2007.12505, 2020
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
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 2016, X20. 007, 2016
2016
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Articles 1–13