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Yusuf Hamied Department of Chemistry

 

Publications

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  • Currently displaying 241 - 260 of 27943 publications
Volta: A Tool for Battery Screening Bridging the Gap between Virtual Electrode Materials and Practical Applications
A Carnevali, M Palacin, CP Grey, A A. Franco
– ECS Meeting Abstracts
(2023)
MA2023-02,
51
(doi: 10.1149/ma2023-02151mtgabs)
Operando 17o NMR Studies of Degradation in Li-Oxygen Batteries
J Ellison, CP Grey
– ECS Meeting Abstracts
(2023)
MA2023-02,
3404
(doi: 10.1149/ma2023-0283404mtgabs)
Towards High-Capacity Recovery Aprotic Li-O2 Batteries
I Temprano, W Brehm, Y Ham, Z Lacour, F Bonaccorso, AC Ferrari, CP Grey
– ECS Meeting Abstracts
(2023)
MA2023-02,
109
(doi: 10.1149/ma2023-021109mtgabs)
Oxygen Hole Formation Controls Stability in LiNiO2 Cathodes: DFT Studies of Oxygen Loss and Singlet Oxygen Formation in Li-Ion Batteries
AR Genreith-Schriever, H Banerjee, AS Menon, EN Bassey, LF Piper, CP Grey, AJ Morris
– ECS Meeting Abstracts
(2023)
MA2023-02,
162
(doi: 10.1149/ma2023-022162mtgabs)
Preventing Degradation in a Flavin Mononucleotide-Based Redox Flow Battery: An NMR and EPR Study
D Hey, RB Jethwa, NL Farag, BLD Rinkel, EWW Zhao, CP Grey
– ECS Meeting Abstracts
(2023)
MA2023-02,
2865
(doi: 10.1149/ma2023-02592865mtgabs)
Impacts of supercapacitor electrode structure on electrochemical CO2 capture
Z Xu, G Mapstone, Z Coady, M Wang, T Spreng, X Liu, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-nj817)
Applying atomistic neural networks to bias conformer ensembles towards bioactive-like conformations
B Baillif, J Cole, I Giangreco, P McCabe, A Bender
– J Cheminform
(2023)
15,
124
(doi: 10.1186/s13321-023-00794-w)
Structural Disorder Determines Capacitance in Nanoporous Carbons
X Liu, D Lyu, C Merlet, M Leesmith, X Hua, Z Xu, C Grey, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-bd24m)
Rationale for the Extrapolation Procedure in Selected Configuration Interaction
HGA Burton, P-F Loos
(2023)
(doi: 10.48550/arxiv.2312.12530)
(link to publication)
Bayesian Optimization in the Latent Space of a Variational Autoencoder for the Generation of Selective FLT3 Inhibitors
R Chandra, RI Horne, M Vendruscolo
– Journal of chemical theory and computation
(2023)
20,
469
(doi: 10.1021/acs.jctc.3c01224)
Diamond-Like Carbon: A Surface for Extreme, High-Wear Environments.
N Sharifi, H Smith, D Madden, T Kehoe, G Wu, L Yang, RJL Welbourn, E G Fernandez, SM Clarke
– Langmuir: the ACS journal of surfaces and colloids
(2023)
40,
52
(doi: 10.1021/acs.langmuir.3c01438)
Nonspecificity fingerprints for clinical-stage antibodies in solution.
TW Herling, G Invernizzi, H Ausserwöger, JR Bjelke, T Egebjerg, S Lund, N Lorenzen, TPJ Knowles
– Proceedings of the National Academy of Sciences of the United States of America
(2023)
120,
e2306700120
(doi: 10.1073/pnas.2306700120)
RASP: Optimal single fluorescent puncta detection in complex cellular backgrounds
B Fu, EE Brock, R Andrews, JC Breiter, R Tian, CE Toomey, J Lachica, T Lashley, M Ryten, NW Wood, M Vendruscolo, S Gandhi, LE Weiss, JS Beckwith, SF Lee
(2023)
(doi: 10.1101/2023.12.18.572148)
Transferable Machine Learning Interatomic Potential for Bond Dissociation Energy Prediction of Drug-like Molecules.
E Gelžinytė, M Öeren, MD Segall, G Csányi
– J Chem Theory Comput
(2023)
20,
164
(doi: 10.1021/acs.jctc.3c00710)
Towards a Fundamental Understanding of Aqueous Organic Redox Flow Batteries – A Study of Degradation, Aggregation, and Reactivity
D Hey
(2023)
(doi: 10.17863/CAM.106755)
Accurate and gate-efficient quantum ansätze for electronic states without adaptive optimisation
HGA Burton
(2023)
(doi: 10.48550/arxiv.2312.09761)
(link to publication)
Cerebral organoids with chromosome 21 trisomy secrete Alzheimer’s disease-related soluble aggregates detectable by single-molecule-fluorescence and super-resolution microscopy
E Fertan, D Böken, A Murray, JSH Danial, JYL Lam, Y Wu, PA Goh, I Alić, MR Cheetham, E Lobanova, YP Zhang, D Nižetić, D Klenerman
– Mol Psychiatry
(2023)
1
(doi: 10.1038/s41380-023-02333-3)
Correction to: Live-cell three-dimensional single-molecule tracking reveals modulation of enhancer dynamics by NuRD (Nature Structural & Molecular Biology, (2023), 30, 11, (1628-1639), 10.1038/s41594-023-01095-4)
S Basu, O Shukron, D Hall, P Parutto, A Ponjavic, D Shah, W Boucher, D Lando, W Zhang, N Reynolds, LH Sober, A Jartseva, R Ragheb, X Ma, J Cramard, R Floyd, J Balmer, TA Drury, AR Carr, L-M Needham, A Aubert, G Communie, K Gor, M Steindel, L Morey, E Blanco, T Bartke, L Di Croce, I Berger, C Schaffitzel, SF Lee, TJ Stevens, D Klenerman, BD Hendrich, D Holcman, ED Laue
– Nature Structural & Molecular Biology
(2023)
31,
390
(doi: 10.1038/s41594-023-01179-1)
The sensitivity of Southern Ocean atmospheric dimethyl sulfide (DMS) to modeled oceanic DMS concentrations and emissions
YA Bhatti, LE Revell, AJ Schuddeboom, AJ McDonald, AT Archibald, J Williams, AU Venugopal, C Hardacre, E Behrens
– Atmospheric Chemistry and Physics
(2023)
23,
15181
(doi: 10.5194/acp-23-15181-2023)
Employment of Alkoxy Sidechains in Semicrystalline Semiconducting Polymers for Ambient-Stable p‑Doped Conjugated Polymers
T Kurosawa, Y Yamashita, Y Kobayashi, CP Yu, S Kumagai, T Mikie, I Osaka, S Watanabe, J Takeya, T Okamoto
– Macromolecules
(2023)
57,
328
(doi: 10.1021/acs.macromol.3c00211)

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