Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 601 - 620 of 29854 publications
Author(s)
Publication title
Journal Name
Publication year
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
(doi: 10.1021/acs.jctc.4c01462)
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
(doi: 10.1021/acs.jctc.4c01404)
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
(doi: 10.1021/acsnano.4c10931)
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
(doi: 10.5194/gmd-18-181-2025)
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)
Deletion of the moe A gene in Flavobacterium IR1 drives structural color shift from green to blue and alters polysaccharide metabolism
ÁE Doncel, C Patinios, A Campos, MBW 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-β core of brain-derived Aβ42 filaments.
M Milanesi, ZF Brotzakis, M Vendruscolo
Science advances
(2025)
11
(doi: 10.1126/sciadv.adr7008)
Discovering synthesis targets: general discussion.
AS Anker, A Aspuru-Guzik, T Bechtel, F Bigi, KR Briling, B Das, N David, GM Day, VL Deringer, M Dyer, A Eardley-Brunt, ML Evans, R Evans, BA Franklin, AM Ganose, J George, M Goulding, N Hickey, G James, AV Kalikadien, V Kapil, HJ Kulik, V Kumar, C Kuttner, E Lam, M Lederbauer, Y Lou, J Martin, A Marulanda Bran, M Mathea, CJ Pickard, B Ruscic, MR Ryder, V Sabanza Gil, P Schwaller, MHS Segler, W Sun, S Tanovic, W Treyde, A Walsh, R Wu
Faraday Discussions
(2025)
256
(doi: 10.1039/d4fd90064b)
Discovering trends in big data: general discussion.
RV Albornoz, D Antypov, G Blanke, I Borges, A Marulanda Bran, J Cheung, CM Collins, N David, GM Day, VL Deringer, C Draxl, A Eardley-Brunt, ML Evans, I Fairlamb, K Fieseler, BA Franklin, J George, J Grundy, J Johal, AV Kalikadien, V Kapil, L Kotopanov, V Kumar, C Kuttner, M Lederbauer, AC Ojeda-Porras, J Pang, M Parkes, M Pemberton, B Ruscic, MR Ryder, K Sakaushi, G Saleh, BM Savoie, P Schwaller, BB Skjelstad, W Sun, T Taniguchi, CR Taylor, S Torrisi, S Vishnoi, A Walsh, R Wu
Faraday discussions
(2025)
256
(doi: 10.1039/d4fd90063d)
Optical materials discovery and design with federated databases and machine learning.
V Trinquet, ML Evans, CJ Hargreaves, P-P De Breuck, G-M Rignanese
Faraday Discussions
(2025)
256
(doi: 10.1039/d4fd00092g)
Discovering structure-property correlations: general discussion
AS Anker, A Aspuru-Guzik, C Ben Mahmoud, S Bennett, KR Briling, A Changiarath, S Chong, CM Collins, AI Cooper, D Crusius, KK Darmawan, B Das, N David, GM Day, VL Deringer, F Duarte, A Eardley-Brunt, ML Evans, R Evans, I Fairlamb, BA Franklin, J Frey, AM Ganose, M Goulding, R Hafizi, M Hakkennes, N Hickey, G James, KE Jelfs, AV Kalikadien, V Kapil, Z Koczor-Benda, F Krammer, HJ Kulik, V Kumar, C Kuttner, E Lam, Y Lou, E Mante, J Martin, AM Mroz, T Nematiaram, CWP Pare, S Patra, J Proudfoot, B Ruscic, MR Ryder, K Sakaushi, J Saßmannshausen, BM Savoie, N Schneider, P Schwaller, BB Skjelstad, W Sun, FT Szczypiński, S Torrisi, K Ueltzen, S Vishnoi, A Walsh, X Wang, C Wilson, R Wu, J Zeitler
Faraday Discuss
(2025)
256
(doi: 10.1039/d4fd90062f)
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 Discussions
(2025)
256
(doi: 10.1039/d4fd00107a)
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
(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
(doi: 10.1039/D4EE05780E)
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
(doi: 10.1038/s41589-024-01811-1)
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
(doi: 10.1371/journal.pcbi.1012737)
Thermodynamics of a compressible lattice gas crystal: Generalized Gibbs-Duhem equation and adsorption
M Sprik
(2025)
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
(doi: 10.1039/d4fd90056a)
A pseudo-cubic metal–organic cage with conformationally switchable faces for dynamically adaptive guest encapsulation
H Xu, TK Ronson, AW Heard, PCP Teeuwen, L Schneider, P Pracht, JD Thoburn, DJ Wales, JR Nitschke
Nature Chemistry
(2025)
17
(doi: 10.1038/s41557-024-01708-5)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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