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Surface premelting of water ice

Nature reviews. Chemistry, 2019-03, Vol.3 (3), p.172-188

2019

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Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides

Surface science reports, 2015-11, Vol.70 (3), p.424-447

2015

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Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

The Journal of chemical physics, 2012-09, Vol.137 (12), p.120901-120901

2012

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Perspective: How good is DFT for water?

The Journal of chemical physics, 2016-04, Vol.144 (13), p.130901-130901

2016

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Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

Nano letters, 2014-12, Vol.14 (12), p.6872-6877

2014

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Fast diffusion of water nanodroplets on graphene

Nature materials, 2016-01, Vol.15 (1), p.66-71

2016

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An accurate and transferable machine learning potential for carbon

The Journal of chemical physics, 2020-07, Vol.153 (3), p.034702

2020

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Predicting heterogeneous ice nucleation with a data-driven approach

Nature communications, 2020-09, Vol.11 (1), p.4777-4777, Article 4777

2020

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Origins of fast diffusion of water dimers on surfaces

Nature communications, 2020-04, Vol.11 (1), p.1689-1689, Article 1689

2020

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Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces

The Journal of chemical physics, 2014-02, Vol.140 (8), p.084704-084704

2014

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Solvent-Induced Proton Hopping at a Water–Oxide Interface

The journal of physical chemistry letters, 2014-02, Vol.5 (3), p.474-480

2014

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The role of van der Waals forces in water adsorption on metals

The Journal of chemical physics, 2013-01, Vol.138 (2), p.024708-024708

2013

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Interaction between water and carbon nanostructures: How good are current density functional approximations?

The Journal of chemical physics, 2019-10, Vol.151 (16), p.164702-164702

2019

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Ice nanoclusters at hydrophobic metal surfaces

Nature materials, 2007-08, Vol.6 (8), p.597-601

2007

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The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity

Journal of the American Chemical Society, 2015-10, Vol.137 (42), p.13658-13669

2015

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Chemical accuracy for the van der Waals density functional

Journal of physics. Condensed matter, 2010-01, Vol.22 (2), p.022201-022201 (5)

2010

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Quantum nature of the hydrogen bond

Proceedings of the National Academy of Sciences - PNAS, 2011-04, Vol.108 (16), p.6369-6373

2011

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Active sites in heterogeneous ice nucleation—the example of K-rich feldspars

Science (American Association for the Advancement of Science), 2017-01, Vol.355 (6323), p.367-371

2017

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Ice is born in low-mobility regions of supercooled liquid water

Proceedings of the National Academy of Sciences - PNAS, 2019-02, Vol.116 (6), p.2009-2014

2019

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DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory

The Journal of chemical physics, 2022-10, Vol.157 (13), p.134701-134701

2022

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Ice formation on kaolinite: Insights from molecular dynamics simulations

The Journal of chemical physics, 2016-12, Vol.145 (21), p.211927-211927

2016

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Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation

Nature chemistry, 2018-03, Vol.10 (3), p.325-332

2018

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Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts

ACS catalysis, 2018-06, Vol.8 (6), p.5038-5050

2018

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Development of a machine learning potential for graphene

Physical review. B, 2018-02, Vol.97 (5), Article 054303

2018

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Electronic structure software

The Journal of chemical physics, 2020-08, Vol.153 (7), p.070401-070401

2020

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Surface premelting of water ice

Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides

Perspective: Advances and challenges in treating van der Waals dispersion forces in density functional theory

Perspective: How good is DFT for water?

Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

Fast diffusion of water nanodroplets on graphene

An accurate and transferable machine learning potential for carbon

Predicting heterogeneous ice nucleation with a data-driven approach

Origins of fast diffusion of water dimers on surfaces

Insight into the description of van der Waals forces for benzene adsorption on transition metal (111) surfaces

Solvent-Induced Proton Hopping at a Water–Oxide Interface

The role of van der Waals forces in water adsorption on metals

Interaction between water and carbon nanostructures: How good are current density functional approximations?

Ice nanoclusters at hydrophobic metal surfaces

The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity

Chemical accuracy for the van der Waals density functional

Quantum nature of the hydrogen bond

Active sites in heterogeneous ice nucleation—the example of K-rich feldspars

Ice is born in low-mobility regions of supercooled liquid water

DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory

Ice formation on kaolinite: Insights from molecular dynamics simulations

Pt/Cu single-atom alloys as coke-resistant catalysts for efficient C–H activation

Elucidating the Stability and Reactivity of Surface Intermediates on Single-Atom Alloy Catalysts

Development of a machine learning potential for graphene

Electronic structure software

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