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The Journal of Chemical Physics
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January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principles
Yasmine 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 Carlo
Yasmine 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 derivatives
Yasmine 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 materials
Martin 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 binding
Yasmine 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 molecules
Yasmine 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 Carlo
Yasmine 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 dataset
Benjamin 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 methods
Yasmine 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 accuracy
Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
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of 2
Search research articles
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Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
The Journal of Chemical Physics
|
January 10, 2019
Understanding non-covalent interactions in larger molecular complexes from first principles
Yasmine 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 Carlo
Yasmine 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 derivatives
Yasmine 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 materials
Martin 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 binding
Yasmine 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 molecules
Yasmine 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 Carlo
Yasmine 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 dataset
Benjamin 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 methods
Yasmine 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 accuracy
Yasmine S Al-Hamdani, Mariana Rossi, Dario Alfè, et al.
Page
of 2