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Yusuf Hamied Department of Chemistry

 

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  • Currently displaying 1901 - 1920 of 29346 publications
Remembering the Work of Phillip L. Geissler: A Coda to His Scientific Trajectory.
GR Bowman, SJ Cox, C Dellago, KH DuBay, JD Eaves, DA Fletcher, LB Frechette, M Grünwald, K Klymko, J Ku, AK Omar, E Rabani, DR Reichman, JR Rogers, AM Rosnik, GM Rotskoff, AR Schneider, N Schwierz, DA Sivak, S Vaikuntanathan, S Whitelam, A Widmer-Cooper
– Annual Review of Physical Chemistry
(2023)
74,
1
(doi: 10.1146/annurev-physchem-101422-030127)
Sequence-based prediction of pH-dependent protein solubility using CamSol
M Oeller, R Kang, R Bell, H Ausserwöger, P Sormanni, M Vendruscolo
– Brief Bioinform
(2023)
24,
bbad004
(doi: 10.1093/bib/bbad004)
Understanding surface reactivity, local structure, and lithium-metal dendrite initiation in garnet solid electrolytes
S Vema
(2023)
(doi: 10.17863/CAM.100640)
Nanosecond dynamics of solitons in confined Bose-Einstein condensates
V Johny, S Ghosh
(2023)
(doi: 10.26434/chemrxiv-2023-8k3sq)
Dissipative Matsubara Dynamics
A Prada
(2023)
(doi: 10.17863/CAM.95949)
Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model
BA Cala, S Archer-Nicholls, J Weber, NL Abraham, PT Griffiths, L Jacob, YM Shin, LE Revell, M Woodhouse, AT Archibald
(2023)
(doi: 10.5194/acp-2023-42)
Accelerated Chemical Reaction Optimization using Multi-Task Learning
C Taylor, K Felton, D Wigh, M Jeraal, R Grainger, G Chessari, C Johnson, A Lapkin
(2023)
(doi: 10.26434/chemrxiv-2023-stqrt)
Supplementary material to "Development, intercomparison and evaluation of an improved mechanism for the oxidation of dimethyl sulfide in the UKCA model"
BA Cala, S Archer-Nicholls, J Weber, NL Abraham, PT Griffiths, L Jacob, YM Shin, LE Revell, M Woodhouse, AT Archibald
(2023)
(doi: 10.5194/acp-2023-42-supplement)
Versatile Biosynthetic Approach to Regioselective Enzyme Patterning for Direct Bioelectrocatalysis Application
H Lee, SS Reginald, IS Chang
– Advanced Materials Technologies
(2023)
8,
(doi: 10.1002/admt.202201324)
Tracking and Understanding Dynamics of Atoms and Clusters of Late Transition Metals with In-Situ DRIFT and XAS Spectroscopy Assisted by DFT
BB Sarma, J Jelic, D Neukum, DE Doronkin, X Huang, F Studt, JD Grunwaldt
– Journal of Physical Chemistry C
(2023)
127,
3032
(doi: 10.1021/acs.jpcc.2c07263)
A Deep Potential model for liquid-vapor equilibrium and cavitation rates of water
I Sanchez-Burgos, MC Muniz, JR Espinosa, AZ Panagiotopoulos
(2023)
(link to publication)
Excited states, symmetry breaking, and unphysical solutions in state-specific CASSCF theory
A Marie, HGA Burton
(2023)
(doi: 10.48550/arxiv.2301.11731)
(link to publication)
Furan-based Thiamine Antagonists for Pyruvate Dehydrogenase: SAR Investigation, Biochemical Evaluation and Computational Analysis
F Leeper, AHY Chan, TCS Ho, DR Parle
– Organic & Biomolecular Chemistry
(2023)
21,
1755
(doi: 10.1039/d2ob02272a)
Hallucinating functional protein sequences.
D Belanger, LJ Colwell
– Nature Biotechnology
(2023)
41,
1073
(doi: 10.1038/s41587-022-01634-2)
Strategies for Conditional Regulation of Proteins
K Nadendla, GG Simpson, J Becher, T Journeaux, M Cabeza-Cabrerizo, GJL Bernardes
– Jacs Au
(2023)
3,
344
(doi: 10.1021/jacsau.2c00654)
Convergence of Møller-Plesset perturbation theory for excited reference states
D-G Oprea, HGA Burton
(2023)
(doi: 10.48550/arxiv.2301.10539)
(link to publication)
Accurate Energy Barriers for Catalytic Reaction Pathways: An Automatic Training Protocol for Machine Learning Force Fields
L Schaaf, E Fako, S De, A Schäfer, G Csányi
(2023)
(doi: 10.48550/arxiv.2301.09931)
(link to publication)
Molecular Dynamics with Chemical Accuracy─Alkane Adsorption in Acidic Zeolites
F Berger, M Rybicki, J Sauer
– ACS Catalysis
(2023)
13,
2011
(doi: 10.1021/acscatal.2c05493)
Chem-map profiles drug binding to chromatin in cells
Z Yu, J Spiegel, L Melidis, WWI Hui, X Zhang, A Radzevičius, S Balasubramanian
– Nature Biotechnology
(2023)
41,
1265
(doi: 10.1038/s41587-022-01636-0)
Roadmap on chalcogenide photonics
B Gholipour, SR Elliott, MJ Mueller, M Wuttig, DW Hewak, BE Hayden, Y Li, SS Jo, R Jaramillo, RE Simpson, J Tominaga, Y Cui, A Mandal, BJ Eggleton, M Rochette, M Rezaei, I Alamgir, HM Shamim, R Kormokar, A Anjum, GT Zeweldi, TS Karnik, J Hu, SO Kasap, G Belev, A Reznik
– Journal of Physics: Photonics
(2023)
5,
012501
(doi: 10.1088/2515-7647/ac9a91)

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