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  • Currently displaying 61 - 80 of 322 publications
Author(s)
Publication title
Journal Name
Publication year
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 Letters
(2024)
24
(doi: 10.1021/acs.nanolett.4c00890)
The interplay of solvation and polarization effects on ion pairing in nanoconfined electrolytes
K Fong, B Sumic, N O'Neill, C Schran, C Grey, A Michaelides
(2024)
(doi: 10.26434/chemrxiv-2024-r67mx)
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 Discuss
(2024)
249
(doi: 10.1039/d3fd90064a)
Soft matter-water interface: general discussion.
EHG Backus, G Ben Ari, S Benaglia, M Bonn, AT Bui, SJ Cox, F Della Pia, J Fraxedas, G Goel, Y Jiang, D Jin, K Koga, D Laage, S Miao, A Michaelides, K Morgenstern, T Mukherjee, Y Nagata, H Naito, O Nir, M Olvera de la Cruz, H Orlikowska-Rzeznik, D Pan, SLB Rempe, CG Salzmann, A Taira, A Vilangottunjalil, S Wang, AP Willard, Y Yao, J Yu
Faraday Discuss
(2024)
249
(doi: 10.1039/d3fd90066e)
Ice interfaces: general discussion
XR Advincula, EHG Backus, T Bartels-Rausch, S Benaglia, G Ben Ari, KE Blow, M Bonn, AT Bui, SJ Cox, F Della Pia, U Diebold, AR Finney, G Franceschi, L Fumagalli, G Goel, JA Hayton, C Holdship, Y Jiang, D Jin, V Kapil, N Kavokine, K Koga, D Laage, M Lahav, S Miao, A Michaelides, N Mohandas, K Morgenstern, T Mukherjee, Y Nagata, M Olvera de la Cruz, D Pan, PM Piaggi, SLB Rempe, P Ryan, CG Salzmann, T Sayer, RJ Saykally, M Shepelenko, GC Sosso, TF Whale, JJ White, AP Willard, P Zhang
Faraday Discussions
(2024)
249
(doi: 10.1039/d3fd90063k)
First-principles spectroscopy of aqueous interfaces using machine-learned electronic and quantum nuclear effects
V Kapil, DP Kovács, G Csányi, A Michaelides
Faraday Discussions
(2024)
249
(doi: 10.1039/d3fd00113j)
Ten-electron count rule for the binding of adsorbates on single-atom alloy catalysts
J Schumann, M Stamatakis, A Michaelides, R Réocreux
Nat Chem
(2024)
16
(doi: 10.1038/s41557-023-01424-6)
The limit of macroscopic homogeneous ice nucleation at the nanoscale
JA Hayton, MB Davies, TF Whale, A Michaelides, SJ Cox
FARADAY DISCUSSIONS
(2024)
249
(doi: 10.1039/d3fd00099k)
Origin of dielectric polarization suppression in confined water from first principles
T Dufils, C Schran, J Chen, AK Geim, L Fumagalli, A Michaelides
Chem Sci
(2023)
15
(doi: 10.1039/d3sc04740g)
Quasi-one-dimensional hydrogen bonding in nanoconfined ice
P Ravindra, XR Advincula, C Schran, A Michaelides, V Kapil
(2023)
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
(doi: 10.1021/jacs.3c09616)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
N O'Neill, BX Shi, K Fong, A Michaelides, C Schran
(2023)
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
BX Shi, DJ Wales, A Michaelides, CW Myung
(2023)
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)
20
(doi: 10.1021/acs.jctc.3c00719)
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. Series 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)
Yusuf Hamied Department of Chemistry
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Cambridge
CB2 1EW
T: +44 (0) 1223 336300
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