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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 301 - 320 of 29408 publications
FCIQMC-CASPT2 with Imaginary-Time-Averaged Wave Functions
AA Safari, RJ Anderson, A Alavi, G Li Manni
– Journal of chemical theory and computation
(2025)
21,
1029
(doi: 10.1021/acs.jctc.4c01462)
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)
9,
015401
(doi: 10.1103/physrevmaterials.9.015401)
A global multidimensional analysis of air pollution in land, sea, and air transport cabins reveals substantial health risks
H Wang, W Wei, K Wang, H Kong, CL Zilli Vieira, P Koutrakis, S Huang, J Xiong, C Giorio
– One Earth
(2025)
8,
101156
(doi: 10.1016/j.oneear.2024.11.010)
Data supporting the North Atlantic Climate System: Integrated Studies (ACSIS) programme, including atmospheric composition, oceanographic and sea ice observations (2016-2022) and output from ocean, atmosphere, land and sea-ice models (1950-2050)
AT Archibald, B Sinha, MR Russo, E Matthews, FA Squires, NL Abraham, SJB Bauguitte, TJ Bannan, TG Bell, D Berry, LJ Carpenter, H Coe, A Coward, P Edwards, D Feltham, D Heard, J Hopkins, J Keeble, EC Kent, BA King, IR Lawrence, J Lee, CR Macintosh, A Megann, BI Moat, K Read, C Reed, MJ Roberts, R Schiemann, D Schroeder, TJ Smyth, L Temple, N Thamban, L Whalley, S Williams, H Wu, M Yang
– Earth System Science Data
(2025)
17,
135
(doi: 10.5194/essd-17-135-2025)
Knotting a tetrahedral cage mechanically locks guests inside
Y Yang, TK Ronson, PCP Teeuwen, S Zucchelli, AW Heard, P Posocco, DJ Wales, JR Nitschke
(2025)
(doi: 10.26434/chemrxiv-2025-njv4t)
Effect of Exact Exchange on the Energy Landscape in Self-Consistent Field Theory
Y Pillai, HGA Burton, DJ Wales
– Journal of chemical theory and computation
(2025)
21,
1203
(doi: 10.1021/acs.jctc.4c01404)
Proton-driven lithium separation using alkali-templated coordination cages
X Sun, K Wu, P Teeuwen, P Pracht, D Wales, J Nitschke
(2025)
(doi: 10.26434/chemrxiv-2025-j8t2v)
Understanding the Mechanism of Electrochemical CO2 Capture by Supercapacitive Swing Adsorption.
G Mapstone, TM Kamsma, Z Xu, PK Jones, AA Lee, I Temprano, J Lee, MFL De Volder, AC Forse
– ACS nano
(2025)
19,
4242
(doi: 10.1021/acsnano.4c10931)
Structural Elucidation of Na2/3NiO2, A Dynamically Stabilised Cathode Phase with Ni Charge- and Na Vacancy- Ordering
JMA Steele, AR Genreith-Schriever, JD Bocarsly, LAV Nagle-Cocco, FN Sayed, M Juramy, CA O'Keefe, F Orlandi, P Manuel, SE Dutton, CP Grey
(2025)
(doi: 10.26434/chemrxiv-2025-3k58h)
Compositional and functional diversity of minimal primitive coacervates in a nucleic acid-peptide world
KK Nakashima, FZ Mihoubi, J Saraya, K Russell, F Rahmatova, J Robinson, MJ Maristany, J Huertas, R Rubio-Sánchez, R Collepardo-Guevara, D O'Flaherty, C Bonfio
(2025)
(doi: 10.26434/chemrxiv-2024-l40ch-v2)
Virtual Integration of Satellite and In-situ Observation Networks (VISION) v1.0: In-Situ Observations Simulator (ISO_simulator)
MR Russo, SL Bartholomew, D Hassell, AM Mason, E Neininger, AJ Perman, DAJ Sproson, D Watson-Parris, NL Abraham
– Geoscientific Model Development
(2025)
18,
181
(doi: 10.5194/gmd-18-181-2025)
Deletion of the moeA gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism
ÁE Doncel, C Patinios, A Campos, MB Walter Costa, MV Turkina, M Murace, RHJ Staals, S Vignolini, BE Dutilh, CJ Ingham
(2025)
(doi: 10.1101/2025.01.13.632688)
Transient interactions between the fuzzy coat and the cross-beta core of brain-derived A-beta 42 filaments
M Milanesi, ZF Brotzakis, M Vendruscolo
– Science Advances
(2025)
11,
eadr7008
(doi: 10.1126/sciadv.adr7008)
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)
Benchmarking residue-resolution protein coarse-grained models for simulations of biomolecular condensates
A Feito, I Sanchez-Burgos, I Tejero, E Sanz, A Rey, R Collepardo-Guevara, AR Tejedor, JR Espinosa
– PLoS Computational Biology
(2025)
21,
e1012737
(doi: 10.1371/journal.pcbi.1012737)
Transforming an ATP-dependent enzyme into a dissipative, self-assembling system
Y Li, J Zhu, Z Zhang, J Wei, F Wang, G Meisl, TPJ Knowles, EH Egelman, FA Tezcan
– Nat Chem Biol
(2025)
21,
883
(doi: 10.1038/s41589-024-01811-1)
Covalent Template-Directed Synthesis: A Powerful Tool for the Construction of Complex Molecules
P Bolgar, M Dhiman, D Núñez-Villanueva, CA Hunter
– Chemical Reviews
(2025)
125,
1629
(doi: 10.1021/acs.chemrev.4c00505)
Modular perovskite-BiVO4 artificial leaves towards syngas synthesis on a m2 scale
V Andrei, Y-H Chiang, M Rahaman, M Anaya, T Kang, E Ruggeri, SD Stranks, E Reisner
– Energy and Environmental Sciences
(2025)
18,
3623
(doi: 10.1039/d4ee05780e)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
M Sprik
(2025)
(link to publication)
Generating models that describe complex disorder: general discussion
SE Ashbrook, F Blanc, SP Brown, T Charpentier, M Dracinsky, MK Dudek, L Emsley, C Gervais, AL Goodwin, GR Goward, J Griffin, AF Harper, KDM Harris, P Hodgkinson, JB Holmes, MA Hope, CE Hughes, SS Köcher, Z Li, SO Nilsson Lill, C Merlet, AJ Morris, LJ Mueller, SL Price, BJ Rhodes, HS Seleghini
– Faraday Discuss
(2025)
255,
391
(doi: 10.1039/d4fd90056a)

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