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The Journal of Chemical Physics
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March 5, 2014
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
Javier Carrasco, Wei Liu, Angelos Michaelides, et al.
Nature Chemistry
|
January 23, 2024
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
Julia Schumann, Michail Stamatakis, Angelos Michaelides, et al.
Physical Review Letters
|
March 17, 2011
To wet or not to wet? Dispersion forces tip the balance for water ice on metals
Javier Carrasco, Biswajit Santra, Jiří Klimeš, et al.
Nano Letters
|
January 31, 2025
Importance of Ion Size on the Dominance of Water-Ion Versus Water-Water Interactions in Au-Supported Solvatomers
Irene Weber, Christopher Penschke, Angelos Michaelides, et al.
Physical Review Letters
|
October 15, 2008
Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters
Heiko Gawronski, Javier Carrasco, Angelos Michaelides, et al.
The Journal of Physical Chemistry Letters
|
March 26, 2016
Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding
Laurent Joly, Gabriele Tocci, Samy Merabia, et al.
The Journal of Chemical Physics
|
December 10, 2025
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
Domantas Kuryla, Fabian Berger, Gábor Csányi, et al.
Nature Materials
|
October 20, 2015
Fast diffusion of water nanodroplets on graphene
Ming Ma, Gabriele Tocci, Angelos Michaelides, et al.
The Journal of Chemical Physics
|
October 8, 2022
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Faraday Discussions
|
October 6, 2023
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, et al.
Page
of 20
Search research articles
Search
Showing results (41-50 of 197) with videos related to
Sort By:
Page
of 20
The Journal of Chemical Physics
|
March 5, 2014
Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces
Javier Carrasco, Wei Liu, Angelos Michaelides, et al.
Nature Chemistry
|
January 23, 2024
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
Julia Schumann, Michail Stamatakis, Angelos Michaelides, et al.
Physical Review Letters
|
March 17, 2011
To wet or not to wet? Dispersion forces tip the balance for water ice on metals
Javier Carrasco, Biswajit Santra, Jiří Klimeš, et al.
Nano Letters
|
January 31, 2025
Importance of Ion Size on the Dominance of Water-Ion Versus Water-Water Interactions in Au-Supported Solvatomers
Irene Weber, Christopher Penschke, Angelos Michaelides, et al.
Physical Review Letters
|
October 15, 2008
Manipulation and control of hydrogen bond dynamics in absorbed ice nanoclusters
Heiko Gawronski, Javier Carrasco, Angelos Michaelides, et al.
The Journal of Physical Chemistry Letters
|
March 26, 2016
Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding
Laurent Joly, Gabriele Tocci, Samy Merabia, et al.
The Journal of Chemical Physics
|
December 10, 2025
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
Domantas Kuryla, Fabian Berger, Gábor Csányi, et al.
Nature Materials
|
October 20, 2015
Fast diffusion of water nanodroplets on graphene
Ming Ma, Gabriele Tocci, Angelos Michaelides, et al.
The Journal of Chemical Physics
|
October 8, 2022
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
Flaviano Della Pia, Andrea Zen, Dario Alfè, et al.
Faraday Discussions
|
October 6, 2023
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
Venkat Kapil, Dávid Péter Kovács, Gábor Csányi, et al.
Page
of 20