The ICE Group

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  • Currently displaying 181 - 200 of 322 publications
Author(s)
Publication title
Journal Name
Publication year
Water at Interfaces.
O Björneholm, MH Hansen, A Hodgson, L-M Liu, DT Limmer, A Michaelides, P Pedevilla, J Rossmeisl, H Shen, G Tocci, E Tyrode, M-M Walz, J Werner, H Bluhm
Chem Rev
(2016)
116
(doi: 10.1021/acs.chemrev.6b00045)
Crystal Nucleation in Liquids: Open Questions and Future Challenges in Molecular Dynamics Simulations
GC Sosso, J Chen, SJ Cox, M Fitzner, P Pedevilla, A Zen, A Michaelides
Chemical reviews
(2016)
116
(doi: 10.1021/acs.chemrev.5b00744)
Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs
W Fang, J Chen, M Rossi, Y Feng, X-Z Li, A Michaelides
Journal of Physical Chemistry Letters
(2016)
7
(doi: 10.1021/acs.jpclett.6b00777)
On Selection of Rotor Support Material for a Ferrite Magnet Spoke-Type Traction Motor
M Kimiabeigi, BC Mecrow, JD Widmer, R Long, Y Gao, J Goss, R Martin, T Lisle, JMS Vizan, A Michaelides
IEEE Transactions on Industry Applications
(2016)
52
(doi: 10.1109/TIA.2016.2530722)
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
Journal of Chemical Physics
(2016)
144
(doi: 10.1063/1.4945783)
Nuclear Quantum Effects in Water and Aqueous Systems: Experiment, Theory, and Current Challenges.
M Ceriotti, W Fang, PG Kusalik, RH McKenzie, A Michaelides, MA Morales, TE Markland
Chemical Reviews
(2016)
116
(doi: 10.1021/acs.chemrev.5b00674)
The Carbon-Water Interface: Modeling Challenges and Opportunities for the Water-Energy Nexus
A Striolo, A Michaelides, L Joly
Annual Review of Chemical and Biomolecular Engineering
(2016)
7
(doi: 10.1146/annurev-chembioeng-080615-034455)
Perspective: How good is DFT for water?
MJ Gillan, D Alfè, A Michaelides
The Journal of chemical physics
(2016)
144
(doi: 10.1063/1.4944633)
Strong Coupling between Nanofluidic Transport and Interfacial Chemistry: How Defect Reactivity Controls Liquid-Solid Friction through Hydrogen Bonding.
L Joly, G Tocci, S Merabia, A Michaelides
Journal of Physical Chemistry Letters
(2016)
7
(doi: 10.1021/acs.jpclett.6b00280)
Materials modelling in London
D Ciudad
Nature Materials
(2016)
15
(doi: 10.1038/nmat4614)
Can Ice-Like Structures Form on Non-Ice-Like Substrates? The Example of the K-feldspar Microcline
P Pedevilla, SJ Cox, B Slater, A Michaelides
Journal of Physical Chemistry C
(2016)
120
(doi: 10.1021/acs.jpcc.6b01155)
The interplay of covalency, hydrogen bonding, and dispersion leads to a long range chiral network: The example of 2-butanol.
ML Liriano, J Carrasco, EA Lewis, CJ Murphy, TJ Lawton, MD Marcinkowski, AJ Therrien, A Michaelides, ECH Sykes
The Journal of Chemical Physics
(2016)
144
(doi: 10.1063/1.4941560)
Controlling Hydrogen Activation, Spillover, and Desorption with Pd-Au Single-Atom Alloys
FR Lucci, MT Darby, MFG Mattera, CJ Ivimey, AJ Therrien, A Michaelides, M Stamatakis, ECH Sykes
The journal of physical chemistry letters
(2016)
7
(doi: 10.1021/acs.jpclett.5b02400)
Atomic-Scale Picture of the Composition, Decay, and Oxidation of Two-Dimensional Radioactive Films
A Pronschinske, P Pedevilla, B Coughlin, CJ Murphy, FR Lucci, MA Payne, AJ Gellman, A Michaelides, ECH Sykes
ACS nano
(2016)
10
(doi: 10.1021/acsnano.5b06640)
Two Dimensional Ice from First Principles: Structures and Phase Transitions.
J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides
Phys Rev Lett
(2016)
116
(doi: 10.1103/physrevlett.116.025501)
Fast diffusion of water nanodroplets on graphene
M Ma, G Tocci, A Michaelides, G Aeppli
Nature materials
(2015)
15
(doi: 10.1038/nmat4449)
The Many Faces of Heterogeneous Ice Nucleation: Interplay Between Surface Morphology and Hydrophobicity
M Fitzner, GC Sosso, SJ Cox, A Michaelides
Journal of the American Chemical Society
(2015)
137
(doi: 10.1021/jacs.5b08748)
Stability of Complex Biomolecular Structures: van der Waals, Hydrogen Bond Cooperativity, and Nuclear Quantum Effects
M Rossi, W Fang, A Michaelides
Journal of Physical Chemistry Letters
(2015)
6
(doi: 10.1021/acs.jpclett.5b01899)
Preface: Special Topic Section on Advanced Electronic Structure Methods for Solids and Surfaces.
A Michaelides, TJ Martinez, A Alavi, G Kresse, FR Manby
J Chem Phys
(2015)
143
(doi: 10.1063/1.4930182)
2D ice from first principles: structures and phase transitions
J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides
(2015)
(doi: 10.48550/arxiv.1508.03743)
Yusuf Hamied Department of Chemistry
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