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Currently displaying 41 - 60 of 330 publications

Importance of Ion Size on the Dominance of Water–Ion Versus Water–Water Interactions in Au-Supported Solvatomers

I Weber, C Penschke, A Michaelides, K Morgenstern

Nano Lett

(2025)

2188

(doi: 10.1021/acs.nanolett.4c05184)

Cooperative CO2 capture via oxalate formation on metal-decorated graphene

IC Popoola, BX Shi, F Berger, A Michaelides, A Zen, D Alfè, YS Al-Hamdani

Physical Review Materials

(2025)

015401

(doi: 10.1103/physrevmaterials.9.015401)

Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies.

H Kaur, F Della Pia, I Batatia, XR Advincula, BX Shi, J Lan, G Csányi, A Michaelides, V Kapil

Faraday Discuss

(2025)

256

120

(doi: 10.1039/d4fd00107a)

Momentum tunnelling between nanoscale liquid flows

B Coquinot, A Bui, D Toquer, A Michaelides, N Kavokine, SJ Cox, L Bocquet

Nature Nanotechnology

(2025)

(doi: 10.1038/s41565-024-01842-8)

Momentum tunnelling between nanoscale liquid flows

B Coquinot, AT Bui, D Toquer, A Michaelides, N Kavokine, SJ Cox, L Bocquet

(2025)

(doi: 10.48550/arxiv.2501.01253)

On the physical origins of reduced ionic conductivity in nanoconfined electrolytes

KD Fong, CP Grey, A Michaelides

(2024)

(doi: 10.26434/chemrxiv-2024-3p7hg)

An accurate and efficient framework for modelling the surface chemistry of ionic materials

BX Shi, AS Rosen, T Schäfer, A Grüneis, V Kapil, A Zen, A Michaelides

(2024)

On the increase of the melting temperature of water confined in one-dimensional nano-cavities

F Della Pia, A Zen, V Kapil, FL Thiemann, D Alfè, A Michaelides

J Chem Phys

(2024)

161

224706

(doi: 10.1063/5.0239452)

Introduction to machine learning potentials for atomistic simulations

FL Thiemann, N O'Neill, V Kapil, A Michaelides, C Schran

Journal of Physics: Condensed Matter

(2024)

073002

(doi: 10.1088/1361-648X/ad9657)

PLUMED Tutorials: a collaborative, community-driven learning ecosystem

GA Tribello, M Bonomi, G Bussi, C Camilloni, BI Armstrong, A Arsiccio, S Aureli, F Ballabio, M Bernetti, L Bonati, SGH Brookes, ZF Brotzakis, R Capelli, M Ceriotti, K-T Chan, P Cossio, S Dasetty, D Donadio, B Ensing, AL Ferguson, G Fraux, JD Gale, FL Gervasio, T Giorgino, NSM Herringer, GM Hocky, SE Hoff, M Invernizzi, O Languin-Cattöen, V Leone, V Limongelli, O Lopez-Acevedo, F Marinelli, PF Martinez, M Masetti, S Mehdi, A Michaelides, MH Murtada, M Parrinello, PM Piaggi, A Pietropaolo, F Pietrucci, S Pipolo, C Pritchard, P Raiteri, S Raniolo, D Rapetti, V Rizzi, J Rydzewski, M Salvalaglio, C Schran, A Seal, AS Zadeh, TFD Silva, V Spiwok, G Stirnemann, D Sucerquia, P Tiwary, O Valsson, M Vendruscolo, GA Voth, AD White, J Wu

(2024)

Ultracompact Electrical Double Layers at TiO₂(110) Electrified Interfaces

IM Nadeem, C Penschke, J Chen, X Torrelles, A Wilson, H Hussain, G Cabailh, O Bikondoa, J Imran, C Nicklin, R Lindsay, J Zegenhagen, MO Blunt, A Michaelides, G Thornton

J Am Chem Soc

(2024)

146

33443

(doi: 10.1021/jacs.4c09911)

Crumbling crystals: on the dissolution mechanism of NaCl in water

N O'Neill, C Schran, SJ Cox, A Michaelides

Phys Chem Chem Phys

(2024)

26933

(doi: 10.1039/d4cp03115f)