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  • Currently displaying 1 - 20 of 343 publications
Author(s)
Publication title
Journal Name
Publication year
An Atlas and Design Rules for Single- and Dual-Atom Alloys
F Berger, Y Wang, ECH Sykes, A Michaelides
(2026)
Breaking Water at Graphene Defects
SGH Brookes, IC Popoola, F Berger, KD Fong, A Michaelides, C Schran
(2026)
Structure and dynamics of molecules in angstrom-scale confinement: general discussion.
XR Advincula, NR Aluru, M Barboiu, ML Berrens, H Berthoumieux, L Bocquet, P Carbone, M Chen, R Dhiman, RAW Dryfe, A Fica, M Fröba, ZAH Goodwin, F Henn, M Jaiswal, TM Kamsma, N Kavokine, AS Korkut, AA Kornyshev, M Kumar, JZ Liu, A Michaelides, A Niyogi, A Noy, S Ostoja-Petkowski, S Perkin, L Pierrot Deseilligny, I Popoola, A Radenovic, B Radha, K Raidongia, H Rauch, V Sanguinetti, M Seyffertitz, K Singh, ZS Siwy, MS Strano, S Swayamjyoti, T Vacus, R van Roij, Y Wang, Y Xie, S Yang, Y Zhang, F Zhou
Faraday Discuss
(2026)
266
(doi: 10.1039/d6fd90016j)
When is nanoconfined water different from interfacial water?
XR Advincula, C Schran, A Michaelides
Faraday discussions
(2026)
266
(doi: 10.1039/d5fd00165j)
Stimuli-responsive flows in angstrom-scale channels: general discussion
NR Aluru, M Barboiu, L Bocquet, M-L Bocquet, L Cao, P Carbone, R Dhiman, RAW Dryfe, M Fröba, E Gage, A Ismail, M Jaiswal, TM Kamsma, N Kavokine, AS Korkut, M Kumar, C Liu, JZ Liu, A Michaelides, A Mount, A Noy, I Pagonabarraga, AS Patwari, S Perkin, L Pierrot Deseilligny, A Radenovic, K Raidongia, K Singh, ZS Siwy, D Turculet, Y Wang, Y Xie, Y Zhang
Faraday discussions
(2026)
266
(doi: 10.1039/d6fd90017h)
Molecular and ion sieving with angstrom-channels: general discussion
XR Advincula, NR Aluru, M Barboiu, H Berthoumieux, L Bocquet, M-L Bocquet, M Chen, R Dhiman, A Fica, ZAH Goodwin, F Henn, C Herrero, TM Kamsma, N Kavokine, AS Korkut, AA Kornyshev, M Kumar, JZ Liu, A Michaelides, A Mount, A Noy, S Ostoja-Petkowski, A Radenovic, S Silva, R van Roij, Y Xie, S Yang
Faraday discussions
(2026)
266
(doi: 10.1039/d6fd90018f)
How reactive is water at the nanoscale and how to control it?
XR Advincula, Y Litman, KD Fong, WC Witt, C Schran, A Michaelides
Science advances
(2026)
12
(doi: 10.1126/sciadv.aeb5772)
Controlling the phase behaviour of ultraconfined water via bilayer graphene stacking
Y Pu, BX Shi, P Ravindra, C Pickard, A Michaelides, V Kapil
(2026)
(doi: 10.48550/arxiv.2606.21490)
How reproducible are first-principles simulations of liquid water?
N ONeill, BX Shi, WJ Baldwin, AP Bartok, CJ Pickard, A Michaelides, G Csanyi, TC Berkelbach
(2026)
(doi: 10.48550/arxiv.2605.28798)
Mechanisms for the formation of active sites in single-atom alloys
I Karageorgiou, A Michaelides, F Berger
Nanoscale
(2026)
18
(doi: 10.1039/d5nr05517b)
Strain-Dependent Wetting of Graphene
DW Lim, XR Advincula, WC Witt, A Michaelides, FL Thiemann, C Schran
(2026)
(doi: 10.48550/arxiv.2601.20134)
Nuclear quantum effects amplify autoionization-driven superionic behaviour in nanoconfined monolayer water.
P Ravindra, XR Advincula, BX Shi, SW Coles, A Michaelides, V Kapil
Chemical science
(2026)
17
(doi: 10.1039/d6sc00138f)
Nanoconfined superionic water is a molecular superionic.
SW Coles, A Hajibabaei, V Kapil, XR Advincula, C Schran, SJ Cox, A Michaelides
Science Advances
(2026)
12
(doi: 10.1126/SCIADV.ADZ6392)
Breaking the Air-Water Paradigm: Ion Behavior at Hydrophobic Solid-Water Interfaces
XR Advincula, KD Fong, Y Wang, C Schran, M Bonn, A Michaelides, Y Litman
Journal of the American Chemical Society
(2026)
148
(doi: 10.1021/jacs.5c20209)
From Accurate Quantum Chemistry to Converged Thermodynamics for Ion Pairing in Solution
N O'Neill, BX Shi, WC Witt, BI Armstrong, WJ Baldwin, P Raiteri, C Schran, A Michaelides, JD Gale
(2026)
(doi: 10.48550/arxiv.2603.06800)
False Metallization in Short-Ranged Machine Learned Interatomic Potentials
IJ Parker, MJ Hoffmann, WJ Baldwin, S Han, S Gupta, KD Fong, A Michaelides, C Schran, S De, G Csányi
(2026)
(doi: 10.48550/arxiv.2603.04228)
When Is Nanoconfined Water Different From Interfacial Water?
XR Advincula, C Schran, A Michaelides
(2025)
(doi: 10.48550/arxiv.2512.11766)
How accurate are DFT forces? Unexpectedly large uncertainties in molecular datasets
D Kuryla, F Berger, G Csányi, A Michaelides
Journal of Chemical Physics
(2025)
163
(doi: 10.1063/5.0296997)
Author Correction: The first-principles phase diagram of monolayer nanoconfined water.
V Kapil, C Schran, A Zen, J Chen, CJ Pickard, A Michaelides
Nature
(2025)
648
(doi: 10.1038/s41586-025-09872-5)
Mechanisms for the Formation of Active Sites in Single-Atom Alloys
I Karageorgiou, A Michaelides, F Berger
(2025)
(doi: 10.48550/arxiv.2511.22725)
Yusuf Hamied Department of Chemistry
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