The ICE Group

Publications

Tips on using this search form

  • All search terms are case-insensitive
  • If you specify more than one search option (e.g. you search for both "Authors" and "Paper title") then the publications returned will be those that match all of your search terms
  • To reset the search form, click here
  • Currently displaying 21 - 40 of 275 publications
Author(s)
Publication title
Journal Name
Publication year
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
(doi: 10.1038/s41586-024-07435-8)
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
(doi: 10.1021/acs.jctc.4c00379)
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
J Phys Chem Lett
(2024)
15
(doi: 10.1021/acs.jpclett.4c01030)
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)
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
(doi: 10.1039/d3fd90064a)
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)
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
(doi: 10.1038/s41557-023-01424-6)
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)
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
Journal of the American Chemical Society
(2023)
145
(doi: 10.1021/jacs.3c09616)
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
(doi: 10.1021/acs.jctc.3c00719)
Supercomputing modelling of advanced materials: preface
CRA Catlow, NH De Leeuw, A Michaelides, SM Woodley
Philosophical Transactions of the Royal Society 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
Phys Rev Lett
(2023)
130
(doi: 10.1103/physrevlett.130.106202)
Medium-density amorphous ice
A Rosu-Finsen, MB Davies, A Amon, H Wu, A Sella, A Michaelides, CG Salzmann
Science
(2023)
379
(doi: 10.1126/science.abq2105)
Classical Quantum Friction at Water-Carbon Interfaces
AT Bui, FL Thiemann, A Michaelides, SJ Cox
Nano letters
(2023)
23
(doi: 10.1021/acs.nanolett.2c04187)
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)
(doi: 10.48550/arxiv.2210.14040)
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
The Journal of chemical physics
(2022)
157
(doi: 10.1063/5.0102645)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
Contacts
Directions

University Privacy Policy

About the Department

Departmental Services

Contact Us!

Email: am452@cam.ac.uk
T: 01223 336314

Study at Cambridge

About the University

Research at Cambridge