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  • Currently displaying 1 - 20 of 255 publications
Local probing of the nanoscale hydration landscape of kaolinite basal facets in the presence of ions
C Cafolla, T Bui, TT Bao Le, A Zen, WJ Tay, A Striolo, A Michaelides, HC Greenwell, K Voïtchovsky
– Materials Today Physics
(2024)
46,
101504
Control of proton transport and hydrogenation in double-gated graphene
J Tong, Y Fu, D Domaretskiy, F Della Pia, P Dagar, L Powell, D Bahamon, S Huang, B Xin, RN Costa Filho, LF Vega, IV Grigorieva, FM Peeters, A Michaelides, M Lozada-Hidalgo
– Nature
(2024)
630,
619
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
BX Shi, DJ Wales, A Michaelides, CW Myung
– J Chem Theory Comput
(2024)
20,
5306
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
– The Journal of Physical Chemistry Letters
(2024)
15,
6081
The Interplay of Solvation and Polarization Effects on Ion Pairing in Nanoconfined Electrolytes
KD Fong, B Sumić, N O'Neill, C Schran, CP Grey, A Michaelides
– Nano Lett
(2024)
24,
5024
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)
16,
749
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
– Journal of Chemical Theory and Computation
(2023)
20,
1612
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
– Phys Rev Lett
(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)