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
442015
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
302017
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
272017
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
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
192017
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
182016
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
162019
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
62020
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
62019
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
32021
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
22020
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
12020
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
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Articles 1–18