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Shayantan Chaudhuri
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Adiabatic versus non-adiabatic electron transfer at 2D electrode materials
DQ Liu, M Kang, D Perry, CH Chen, G West, X Xia, S Chaudhuri, ...
Nature Communications 12 (1), 7110, 2021
372021
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces
J Westermayr, S Chaudhuri, A Jeindl, OT Hofmann, RJ Maurer
Digital Discovery 1 (4), 463-475, 2022
272022
Coexistence of carbonyl and ether groups on oxygen-terminated (110)-oriented diamond surfaces
S Chaudhuri, SJ Hall, BP Klein, M Walker, AJ Logsdail, JV Macpherson, ...
Communications Materials 3 (1), 6, 2022
162022
Electrochemical Ozone Generation Using Compacted High Pressure High Temperature Synthesized Boron Doped Diamond Microparticle Electrodes
GF Wood, IM Terrero Rodríguez, JJ Tully, S Chaudhuri, JV Macpherson
Journal of The Electrochemical Society 168 (12), 126514, 2021
102021
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations
J Hermann, M Stöhr, S Góger, S Chaudhuri, B Aradi, RJ Maurer, ...
Journal of Chemical Physics 159 (17), 174802, 2023
82023
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces
S Chaudhuri, AJ Logsdail, RJ Maurer
Journal of Physical Chemistry C 127 (32), 16187-16203, 2023
32023
Computational simulation of metal nucleation on diamond electrodes
S Chaudhuri
University of Warwick, 2022
22022
Eat, sleep, code, repeat: tips for early-career researchers in computational science
I Ismail, S Chaudhuri, D Morgan, CD Woodgate, Z Fakhoury, JM Targett, ...
European Physical Journal Plus 138 (12), 1094, 2023
12023
Theory and Atomistic Simulation of Electrodeposition
S Chaudhuri, RJ Maurer
arXiv preprint arXiv:2409.16704, 2024
2024
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors
S Chaudhuri, DM Rogers, CJ Hayes, K Inzani, JD Hirst
Journal of Chemical Information and Modeling 64 (19), 7687-7697, 2024
2024
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Articles 1–10