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  • Currently displaying 81 - 100 of 330 publications
Author(s)
Publication title
Journal Name
Publication year
The limit of macroscopic homogeneous ice nucleation at the nanoscale
JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox
(2023)
Supercomputing modelling of advanced materials: preface.
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
(2023)
381
(doi: 10.1098/rsta.2022.0252)
Considerably Increased Dynamics of CO–Water Complexes over CO and Water Alone
C Bertram, C Zaum, W Fang, A Michaelides, K Morgenstern
Nano letters
(2023)
23
(doi: 10.1021/acs.nanolett.3c00158)
pH-dependent water permeability switching and its memory in MoS2 membranes
CY Hu, A Achari, P Rowe, H Xiao, S Suran, Z Li, K Huang, C Chi, CT Cherian, V Sreepal, PD Bentley, A Pratt, N Zhang, KS Novoselov, A Michaelides, RR Nair
Nature
(2023)
616
(doi: 10.1038/s41586-023-05849-4)
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
YS Al-Hamdani, A Zen, A Michaelides, D Alfè
Physical Review Materials
(2023)
7
(doi: 10.1103/PhysRevMaterials.7.035402)
Hydration at Highly Crowded Interfaces.
C Penschke, J Thomas, C Bertram, A Michaelides, K Morgenstern, P Saalfrank, U Bovensiepen
Physical review letters
(2023)
130
(doi: 10.1103/physrevlett.130.106202)
Medium-density amorphous ice.
A Rosu-Finsen, MB Davies, A Amon, H Wu, A Sella, A Michaelides, CG Salzmann
Science (New York, N.Y.)
(2023)
379
(doi: 10.1126/science.abq2105)
Classical Quantum Friction at Water-Carbon Interfaces.
AT Bui, FL Thiemann, A Michaelides, SJ Cox
Nano Letters
(2023)
23
(doi: 10.1021/acs.nanolett.2c04187)
Classical quantum friction at water-carbon interfaces
AT Bui, FL Thiemann, A Michaelides, SJ Cox
(2023)
(doi: 10.48550/arxiv.2210.14040)
Understanding the anomalously low dielectric constant of confined water: an ab initio study
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
(2022)
(doi: 10.48550/arxiv.2211.14035)
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
(2022)
(doi: 10.48550/arxiv.2211.04345)
DMC-ICE13: Ambient and high pressure polymorphs of ice from diffusion Monte Carlo and density functional theory
F Della Pia, A Zen, D Alfè, A Michaelides
Journal of Chemical Physics
(2022)
157
(doi: 10.1063/5.0102645)
The first-principles phase diagram of monolayer nanoconfined water.
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
Nature
(2022)
609
(doi: 10.1038/s41586-022-05036-x)
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts.
R Réocreux, ECH Sykes, A Michaelides, M Stamatakis
J Phys Chem Lett
(2022)
13
(doi: 10.1021/acs.jpclett.2c01519)
Tracking single adatoms in liquid in a transmission electron microscope.
N Clark, DJ Kelly, M Zhou, Y-C Zou, CW Myung, DG Hopkinson, C Schran, A Michaelides, R Gorbachev, SJ Haigh
Nature
(2022)
609
(doi: 10.1038/s41586-022-05130-0)
Accurate prediction of ice nucleation from room temperature water
MB Davies, M Fitzner, A Michaelides
Proceedings of the National Academy of Sciences
(2022)
119
(doi: 10.1073/pnas.2205347119)
Interplay of structural and dynamical heterogeneity in the nucleation mechanism in nickel.
G Díaz Leines, A Michaelides, J Rogal
Faraday discussions
(2022)
235
(doi: 10.1039/d1fd00099c)
Observation and Characterization of Dicarbonyls on a RhCu Single-Atom Alloy.
Y Wang, J Schumann, EE Happel, V Çınar, ECH Sykes, M Stamatakis, A Michaelides, RT Hannagan
Journal of Physical Chemistry Letters
(2022)
13
(doi: 10.1021/acs.jpclett.2c01596)
The first-principles phase diagram of monolayer nanoconfined water
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
(2022)
(doi: 10.48550/arxiv.2110.14569)
Water Flow in Single-Wall Nanotubes: Oxygen Makes It Slip, Hydrogen Makes It Stick.
FL Thiemann, C Schran, P Rowe, EA Müller, A Michaelides
ACS nano
(2022)
16
(doi: 10.1021/acsnano.2c02784)
Yusuf Hamied Department of Chemistry
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