Yusuf Hamied Department of Chemistry

Publications

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  • Currently displaying 2041 - 2060 of 29659 publications
Author(s)
Publication title
Journal Name
Publication year
Accurate Calculation of Many-Body Energies in Water Clusters Using a Classical Geometry-Dependent Induction Model.
KM Herman, AJ Stone, SS Xantheas
Journal of Chemical Theory and Computation
(2023)
19
(doi: 10.1021/acs.jctc.3c00575)
Energy landscapes for proteins described by the UNRES coarse-grained potential
PA Wesołowski, AK Sieradzan, MJ Winnicki, JWR Morgan, DJ Wales
Biophysical chemistry
(2023)
303
(doi: 10.1016/j.bpc.2023.107107)
Global analysis of energy landscapes for materials modeling: A test case for C60
G Csányi, JWR Morgan, DJ Wales
Journal of Chemical Physics
(2023)
159
(doi: 10.1063/5.0167857)
Catalytic degradation of benzene at room temperature over FeN4O2 sites embedded in porous carbon.
H Ding, L Xue, J Cui, Y Wang, D Zhao, X Zhi, R Liu, J Fu, S Liu, B Fu, J Shi, X Xu, GK Li
Journal of hazardous materials
(2023)
460
(doi: 10.1016/j.jhazmat.2023.132520)
Mixed titanium/tin vacancy-ordered double perovskites (Cs₂Ti₁₋ₓSnₓX₆; X = I, Br)
S Liga, SR Kavanagh, A Walsh, DO Scanlon, G Konstantatos
(2023)
(doi: 10.26434/chemrxiv-2023-tqvh2)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
Physical Review B
(2023)
108
(doi: 10.1103/physrevb.108.115112)
Chemoenzymatic Photoreforming: A Sustainable Approach for Solar Fuel Generation from Plastic Feedstocks
S Bhattacharjee, C Guo, E Lam, JM Holstein, M Rangel Pereira, CM Pichler, C Pornrungroj, M Rahaman, T Uekert, F Hollfelder, E Reisner
Journal of the American Chemical Society
(2023)
145
(doi: 10.1021/jacs.3c05486)
Fully First-Principles Surface Spectroscopy with Machine Learning.
Y Litman, J Lan, Y Nagata, DM Wilkins
The Journal of Physical Chemistry Letters
(2023)
14
(doi: 10.1021/acs.jpclett.3c01989)
ACEpotentials.jl: A Julia Implementation of the Atomic Cluster Expansion
WC Witt, C van der Oord, E Gelžinytė, T Järvinen, A Ross, JP Darby, CH Ho, WJ Baldwin, M Sachs, J Kermode, N Bernstein, G Csányi, C Ortner
(2023)
(doi: 10.48550/arxiv.2309.03161)
Energy Landscapes and Heat Capacity Signatures for Peptides Correlate with Phase Separation Propensity
Nicy, R Collepardo-Guevara, JA Joseph, DJ Wales
QRB Discov
(2023)
4
(doi: 10.1017/qrd.2023.5)
Sodium Tetrakis(hexafluoroisopropyloxy)aluminates: Synthesis and Electrochemical Characterisation of a Room‐Temperature Solvated Ionic Liquid
DMC Ould, S Menkin, HE Smith, V Riesgo‐González, TH Smith, MNB Chinn, E Jónsson, AD Bond, CP Grey, DS Wright
ChemElectroChem
(2023)
11
(doi: 10.1002/celc.202300381)
Author Correction: Sensing the DNA-mismatch tolerance of catalytically inactive Cas9 via barcoded DNA nanostructures in solid-state nanopores.
SE Sandler, NE Weckman, S Yorke, A Das, K Chen, R Gutierrez, UF Keyser
Nat Biomed Eng
(2023)
8
(doi: 10.1038/s41551-023-01099-x)
A Supramolecular Naphthalene Diimide Radical Anion with Efficient NIR‐II Photothermal Conversion for E. coli‐Responsive Photothermal Therapy
H Hu, Y-Y Zhang, H Ma, Y Yang, S Mei, J Li, J-F Xu, X Zhang
Angew Chem Int Ed Engl
(2023)
62
(doi: 10.1002/anie.202308513)
Effects of Processing-Induced Contamination on Organic Electronic Devices
D Simatos, IE Jacobs, I Dobryden, M Nguyen, A Savva, D Venkateshvaran, M Nikolka, J Charmet, LJ Spalek, M Gicevičius, Y Zhang, G Schweicher, DJ Howe, S Ursel, J Armitage, IB Dimov, U Kraft, W Zhang, M Alsufyani, I McCulloch, RM Owens, PM Claesson, TPJ Knowles, H Sirringhaus
Small methods
(2023)
7
(doi: 10.1002/smtd.202300476)
Of hopeful narratives and historical injustices – An analysis of just transition narratives in European coal regions
L Hermwille, M Schulze-Steinen, V Brandemann, M Roelfes, Z Vrontisi, E Kesküla, A Anger-Kraavi, Ł Trembaczowski, W Mandrysz, R Muster, A Zygmunt-Ziemianek
Energy Research and Social Science
(2023)
104
(doi: 10.1016/j.erss.2023.103263)
Editorial overview: Artificial intelligence (AI) methodology in structural biology.
A Bender, C de Graaf, NM O'Boyle
Current Opinion in Structural Biology
(2023)
82
(doi: 10.1016/j.sbi.2023.102676)
wfl Python toolkit for creating machine learning interatomic potentials and related atomistic simulation workflows.
E Gelžinytė, S Wengert, TK Stenczel, HH Heenen, K Reuter, G Csányi, N Bernstein
J Chem Phys
(2023)
159
(doi: 10.1063/5.0156845)
Vitamin B12 bioaccumulation in Chlorella vulgaris grown on food waste-derived anaerobic digestate
KP Papadopoulos, MF de Souza, L Archer, ACZ Illanes, EL Harrison, F Taylor, MP Davey, DA Gallardo, AJ Komakech, S Radmehr, A Holzer, E Meers, AG Smith, P Mehrshahi
Algal Research
(2023)
75
(doi: 10.1016/j.algal.2023.103290)
Metal-Organic Framework Supercapacitors: Challenges and Opportunities
S-J Shin, J Gittins, C Balhatchet, A Walsh, A Forse
(2023)
(doi: 10.26434/chemrxiv-2023-nnw1v-v2)
Quantum Nuclear Delocalization and its Rovibrational Fingerprints
I Simkó, C Schran, F Brieuc, C Fábri, O Asvany, S Schlemmer, D Marx, AG Császár
Angew Chem Int Ed Engl
(2023)
62
(doi: 10.1002/anie.202306744)
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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