Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 1741 - 1760 of 31514 publications
Author(s)
Publication title
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Roadmap on methods and software for electronic structure based simulations in chemistry and materials
V Blum, R Asahi, J Autschbach, C Bannwarth, G Bihlmayer, S Blügel, LA Burns, TD Crawford, W Dawson, WA de Jong, C Draxl, C Filippi, L Genovese, P Giannozzi, N Govind, S Hammes-Schiffer, JR Hammond, B Hourahine, A Jain, Y Kanai, PRC Kent, AH Larsen, S Lehtola, X Li, R Lindh, S Maeda, N Makri, J Moussa, T Nakajima, JA Nash, MJT Oliveira, PD Patel, G Pizzi, G Pourtois, BP Pritchard, E Rabani, M Reiher, L Reining, X Ren, M Rossi, HB Schlegel, N Seriani, LV Slipchenko, A Thom, EF Valeev, B Van Troeye, L Visscher, V Vlček, H-J Werner, DB Williams-Young, TL Windus
Electronic Structure
(2024)
6
(doi: 10.1088/2516-1075/ad48ec)
A photoelectrochemical-thermoelectric device for semi-artificial CO2 fixation employing full solar spectrum utilization
SJ Cobb, C Pornrungroj, V Andrei, VM Badiani, L Su, RR Manuel, IAC Pereira, E Reisner
Device
(2024)
2
(doi: 10.1016/j.device.2024.100505)
Stabilisation of Bromenium Ions in Macrocyclic Halogen Bond Complexes
A Docker, H Kuhn, PD Beer
Angewandte Chemie
(2024)
137
(doi: 10.1002/ange.202417427)
Stabilisation of Bromenium Ions in Macrocyclic Halogen Bond Complexes
A Docker, H Kuhn, PD Beer
Angew Chem Int Ed Engl
(2024)
64
(doi: 10.1002/anie.202417427)
Interplay of Stereochemistry and Charge Governs Guest Binding in Flexible ZnII4L4 Cages.
W Xue, E Benchimol, A Walther, N Ouyang, JJ Holstein, TK Ronson, J Openy, Y Zhou, K Wu, R Chowdhury, GH Clever, JR Nitschke
J Am Chem Soc
(2024)
146
(doi: 10.1021/jacs.4c12320)
The energy landscape of Aβ42: a funnel to disorder for the monomer becomes a folding funnel for self-assembly.
M Schäffler, DJ Wales, B Strodel
Chemical Communications
(2024)
60
(doi: 10.1039/d4cc02856b)
Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra
M Priessner, R Lewis, JP Janet, I Lemurell, M Johansson, J Goodman, A Tomberg
(2024)
(doi: 10.26434/chemrxiv-2024-zmmnw)
Workflows for Artificial Intelligence
J Behler, G Csányi, L Foppa, K Kang, M F. Langer, J T. Margraf, A S. Nair, T A. R. Purcell, P Rinke, M Scheffler, A Tkatchenko, M Todorović, O T. Unke, Y Yao
(2024)
(doi: 10.26434/chemrxiv-2024-vw06p)
Explainable Deep Learning Framework for SERS Bio-quantification
JK Zaki, J Tomasik, JA McCune, S Bahn, P Liò, OA Scherman
(2024)
(doi: 10.48550/arxiv.2411.08082)
APOE from astrocytes restores Alzheimer's Aβ-pathology and DAM-like responses in APOE deficient microglia.
P Preman, D Moechars, E Fertan, L Wolfs, L Serneels, D Shah, J Lamote, S Poovathingal, A Snellinx, R Mancuso, S Balusu, D Klenerman, AM Arranz, M Fiers, B De Strooper
EMBO Mol Med
(2024)
16
(doi: 10.1038/s44321-024-00162-7)
Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid-State NMR: The Revolving Power of Ultra-Fast MAS
J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda
Angewandte Chemie (International ed. in English)
(2024)
64
(doi: 10.1002/anie.202408704)
ASC specks as a single-molecule fluid biomarker of inflammation in neurodegenerative diseases
D Klenerman
Nature Communications
(2024)
15
(doi: 10.1038/s41467-024-53547-0)
Distributed direct air capture of carbon dioxide by synergistic water harvesting
Y Wang, L Qu, H Ding, P Webley, GK Li
Nature communications
(2024)
15
(doi: 10.1038/s41467-024-53961-4)
AlphaFold-Metainference: Prediction of Structural Ensembles of Disordered Proteins
ZF Brotzakis, S Zhang, MH Murtada, M Vendruscolo
(2024)
(doi: 10.1101/2024.11.09.622758)
Conformational Pruning via the Permutation Invariant Root Mean Square Deviation of Atomic Positions
P Pracht
(2024)
(doi: 10.26434/chemrxiv-2024-qmcz4)
Innenrücktitelbild: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. 1/2025)
J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda
Angewandte Chemie
(2024)
137
(doi: 10.1002/ange.202420435)
Inside Back Cover: Resolving Structures of Paramagnetic Systems in Chemistry and Materials Science by Solid‐State NMR: The Revolving Power of Ultra‐Fast MAS (Angew. Chem. Int. Ed. 1/2025)
J Koppe, KJ Sanders, TC Robinson, AL Lejeune, D Proriol, S Wegner, A Purea, F Engelke, RJ Clément, CP Grey, AJ Pell, G Pintacuda
Angewandte Chemie International Edition
(2024)
64
(doi: 10.1002/anie.202420435)
Solid-liquid interfacial free energy from computer simulations: Challenges and recent advances
ND Pasquale, J Algaba, PMD Hijes, I Sanchez-Burgos, AR Tejedor, SR Yeandel, FJ Blas, RL Davidchack, JR Espinosa, CL Freeman, JH Harding, BB Laird, E Sanz, C Vega, L Rovigatti
(2024)
Learning the rules of peptide self-assembly through data mining with large language models
Z Yang, SK Yorke, TPJ Knowles, MJ Buehler
(2024)
(doi: 10.48550/arxiv.2411.05421)
Decreasing the uncertainty in the comparison of molecular fingerprints of organic aerosols with H/D exchange mass spectrometry
A Zherebker, O Babcock, DL Pereira, S D'Aronco, D Filippi, L Soldà, V Michoud, A Gratien, M Cirtog, C Cantrell, P Formenti, C Giorio
Environmental Science and Technology
(2024)
58
(doi: 10.1021/acs.est.4c06749)
Yusuf Hamied Department of Chemistry
Lensfield Road
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CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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