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Yasmine S Al-Hamdani

Showing results (1-10 of 11) with videos related to

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The Journal of Chemical Physics|January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principlesYasmine S Al-Hamdani, Alexandre Tkatchenko
The Journal of Chemical Physics|November 29, 2023
Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte CarloYasmine S Al-Hamdani, Andrea Zen, Dario Alfè
The Journal of Chemical Physics|November 4, 2017
Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivativesYasmine S Al-Hamdani, Angelos Michaelides, O Anatole von Lilienfeld
Nature Communications|January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materialsMartin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.
The Journal of Chemical Physics|November 17, 2014
Water on BN doped benzene: a hard test for exchange-correlation functionals and the impact of exact exchange on weak bindingYasmine S Al-Hamdani, Dario Alfè, O Anatole von Lilienfeld, et al.
The Journal of Chemical Physics|July 9, 2016
Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small moleculesYasmine S Al-Hamdani, Dario Alfè, O Anatole von Lilienfeld, et al.
The Journal of Chemical Physics|May 17, 2015
Communication: Water on hexagonal boron nitride from diffusion Monte CarloYasmine S Al-Hamdani, Ming Ma, Dario Alfè, et al.
The Journal of Chemical Physics|April 9, 2025
Systematic discrepancies between reference methods for noncovalent interactions within the S66 datasetBenjamin X Shi, Flaviano Della Pia, Yasmine S Al-Hamdani, et al.
Nature Communications|June 25, 2021
Interactions between large molecules pose a puzzle for reference quantum mechanical methodsYasmine S Al-Hamdani, Péter R Nagy, Andrea Zen, et al.
The Journal of Chemical Physics|August 3, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracyYasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
Pageof 2

Showing results (1-10 of 11) with videos related to

Sort By:
Pageof 2
The Journal of Chemical Physics|January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principlesYasmine S Al-Hamdani, Alexandre Tkatchenko
The Journal of Chemical Physics|November 29, 2023
Unraveling H2 chemisorption and physisorption on metal decorated graphene using quantum Monte CarloYasmine S Al-Hamdani, Andrea Zen, Dario Alfè
The Journal of Chemical Physics|November 4, 2017
Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivativesYasmine S Al-Hamdani, Angelos Michaelides, O Anatole von Lilienfeld
Nature Communications|January 9, 2021
Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materialsMartin Stöhr, Mainak Sadhukhan, Yasmine S Al-Hamdani, et al.
The Journal of Chemical Physics|November 17, 2014
Water on BN doped benzene: a hard test for exchange-correlation functionals and the impact of exact exchange on weak bindingYasmine S Al-Hamdani, Dario Alfè, O Anatole von Lilienfeld, et al.
The Journal of Chemical Physics|July 9, 2016
Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small moleculesYasmine S Al-Hamdani, Dario Alfè, O Anatole von Lilienfeld, et al.
The Journal of Chemical Physics|May 17, 2015
Communication: Water on hexagonal boron nitride from diffusion Monte CarloYasmine S Al-Hamdani, Ming Ma, Dario Alfè, et al.
The Journal of Chemical Physics|April 9, 2025
Systematic discrepancies between reference methods for noncovalent interactions within the S66 datasetBenjamin X Shi, Flaviano Della Pia, Yasmine S Al-Hamdani, et al.
Nature Communications|June 25, 2021
Interactions between large molecules pose a puzzle for reference quantum mechanical methodsYasmine S Al-Hamdani, Péter R Nagy, Andrea Zen, et al.
The Journal of Chemical Physics|August 3, 2017
Properties of the water to boron nitride interaction: From zero to two dimensions with benchmark accuracyYasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
Pageof 2