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  • Currently displaying 1 - 20 of 252 publications
Dynamics and nano-rheology of interfacial water: general discussion
XR Advincula, KE Blow, M Bonn, AT Bui, Y Cheng, SJ Cox, F Della Pia, U Diebold, L Fumagalli, G Goel, JA Hayton, Y Jiang, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, P Montero de Hijes, K Morgenstern, T Mukherjee, N O'Neill, D Pan, PM Piaggi, SLB Rempe, M Salvalaglio, CG Salzmann, T Sayer, M Shepelenko, GC Sosso, S Wang, B Webber, AP Willard, Y Yao
– Faraday Discussions
(2024)
249,
243
The limit of macroscopic homogeneous ice nucleation at the nanoscale.
JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox
– Faraday Discussions
(2024)
249,
210
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
J Schumann, M Stamatakis, A Michaelides, R Réocreux
– Nature chemistry
(2024)
1
Origin of dielectric polarization suppression in confined water from first principles.
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
– Chemical science
(2023)
15,
516
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments.
BX Shi, A Zen, V Kapil, PR Nagy, A Grüneis, A Michaelides
– J Am Chem Soc
(2023)
145,
25372
Mesoscale Simulations Reveal How Salt Influences Clay Particles Agglomeration in Aqueous Dispersions.
TTB Le, AR Finney, A Zen, T Bui, WJ Tay, K Chellappah, M Salvalaglio, A Michaelides, A Striolo
– J Chem Theory Comput
(2023)
Supercomputing modelling of advanced materials: preface.
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
– Philosophical transactions. Series A, Mathematical, physical, and engineering sciences
(2023)
381,
20220252
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,
4793
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,
719
Mechanisms of adsorbing hydrogen gas on metal decorated graphene
YS Al-Hamdani, A Zen, A Michaelides, D Alfè
– Physical Review Materials
(2023)
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,
106202
Medium-density amorphous ice
A Rosu-Finsen, MB Davies, A Amon, H Wu, A Sella, A Michaelides, CG Salzmann
– Science
(2023)
379,
474
Classical Quantum Friction at Water-Carbon Interfaces.
AT Bui, FL Thiemann, A Michaelides, SJ Cox
– Nano letters
(2023)
23,
580
Crumbling Crystals: On the Dissolution Mechanism of NaCl in Water
N O'Neill, C Schran, SJ Cox, A Michaelides
(2022)
Classical quantum friction at water-carbon interfaces
AT Bui, FL Thiemann, A Michaelides, SJ Cox
(2022)
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,
134701
The first-principles phase diagram of monolayer nanoconfined water.
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
– Nature
(2022)
609,
512
Stick or Spill? Scaling Relationships for the Binding Energies of Adsorbates on Single-Atom Alloy Catalysts
R Réocreux, ECH Sykes, A Michaelides, M Stamatakis
– The journal of physical chemistry letters
(2022)
13,
7314
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,
942
Accurate prediction of ice nucleation from room temperature water.
MB Davies, M Fitzner, A Michaelides
– Proceedings of the National Academy of Sciences of the United States of America
(2022)
119,
e2205347119