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Currently displaying 121 - 140 of 275 publications

Double-layer ice from first principles

J Chen, G Schusteritsch, CJ Pickard, CG Salzmann, A Michaelides

(2017)

(doi: 10.48550/arxiv.1703.03670)

How strongly do hydrogen and water molecules stick to carbon nanomaterials?

YS Al-Hamdani, D Alfè, A Michaelides

– The Journal of Chemical Physics

(2017)

146,

094701

(doi: 10.1063/1.4977180)

Melting the ice one layer at a time

A Michaelides, B Slater

– Proceedings of the National Academy of Sciences of the United States of America

(2017)

114,

195

(doi: 10.1073/pnas.1619259114)

Editorial: The Future of Chemical Physics Conference 2016.

A Michaelides, DE Manolopoulos, C Vega, P Hamm, DW Chandler, EC Brigham, MI Lester

– The Journal of chemical physics

(2016)

145,

220401

(doi: 10.1063/1.4968588)

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

A Kiselev, F Bachmann, P Pedevilla, SJ Cox, A Michaelides, D Gerthsen, T Leisner

– Science (New York, N.Y.)

(2016)

355,

367

(doi: 10.1126/science.aai8034)

Evidence for stable square ice from quantum Monte Carlo

J Chen, A Zen, JG Brandenburg, D Alfè, A Michaelides

– Physical Review B

(2016)

94,

220102

(doi: 10.1103/physrevb.94.220102)

Ice formation on kaolinite: Insights from molecular dynamics simulations

GC Sosso, GA Tribello, A Zen, P Pedevilla, A Michaelides

– Journal of Chemical Physics

(2016)

145,

211927

(doi: 10.1063/1.4968796)

Toward accurate adsorption energetics on clay surfaces

A Zen, LM Roch, SJ Cox, XL Hu, S Sorella, D Alfè, A Michaelides

– Journal of Physical Chemistry C

(2016)

120,

26402

(doi: 10.1021/acs.jpcc.6b09559)

A blue-sky approach to understanding cloud formation

B Slater, A Michaelides, CG Salzmann, U Lohmann

– Bulletin of the American Meteorological Society

(2016)

97,

1797

(doi: 10.1175/bams-d-15-00131.1)

Structure of a model TiO₂ photocatalytic interface

H Hussain, G Tocci, T Woolcot, X Torrelles, CL Pang, DS Humphrey, CM Yim, DC Grinter, G Cabailh, O Bikondoa, R Lindsay, J Zegenhagen, A Michaelides, G Thornton

– Nature Materials

(2016)

16,

461

(doi: 10.1038/nmat4793)

Slippery when narrow

A Michaelides

– Nature

(2016)

537,

171

(doi: 10.1038/537171a)

Boosting the accuracy and speed of quantum Monte Carlo: Size consistency and time step

A Zen, S Sorella, MJ Gillan, A Michaelides, D Alfè

– Physical Review B

(2016)

93,

241118

(doi: 10.1103/physrevb.93.241118)

Preparation, Structure, and Surface Chemistry of Ni–Au Single Atom Alloys

Z-T Wang, MT Darby, AJ Therrien, M El-Soda, A Michaelides, M Stamatakis, ECH Sykes

– The Journal of Physical Chemistry C

(2016)

120,

13574

(doi: 10.1021/acs.jpcc.6b03473)

Microscopic Mechanism and Kinetics of Ice Formation at Complex Interfaces: Zooming in on Kaolinite.

GC Sosso, T Li, D Donadio, GA Tribello, A Michaelides

– J Phys Chem Lett

(2016)

2350

(doi: 10.1021/acs.jpclett.6b01013)

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,

7698

(doi: 10.1021/acs.chemrev.6b00045)