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Yusuf Hamied Department of Chemistry

 

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Publications

Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters.
BX Shi, DJ Wales, A Michaelides, CW Myung
– Journal of chemical theory and computation
(2024)
To Pair or not to Pair? Machine-Learned Explicitly-Correlated Electronic Structure for NaCl in Water
O Niamh, S Benjamin, F Kara, A Michaelides, C Schran
– The journal of physical chemistry letters
(2024)
15,
6081
Many-Body Methods for Surface Chemistry Come of Age: Achieving Consensus with Experiments
BX Shi, A Zen, V Kapil, PR Nagy, A Gr√ľneis, A Michaelides
– Journal of the American Chemical Society
(2023)
145,
25372
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported Nanoclusters
BX Shi, DJ Wales, A Michaelides, CW Myung
(2023)
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
– Physical Review B
(2023)
108,
115112
Accurate and efficient structure factors in ultrasoft pseudopotential and projector augmented wave DFT
BX Shi, RJ Nicholls, JR Yates
(2022)
General embedded cluster protocol for accurate modeling of oxygen vacancies in metal-oxides.
BX Shi, V Kapil, A Zen, J Chen, A Alavi, A Michaelides
– The Journal of Chemical Physics
(2022)
156,
124704

Research Group

Telephone number

01223 336530 (shared)

Email address

bxs21@cam.ac.uk