Shayantan Chaudhuri

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Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickVerified email at warwick.ac.uk
Julie MacphersonProfessor of Chemistry, University of WarwickVerified email at warwick.ac.uk
Andrew J. LogsdailCardiff UniversityVerified email at cardiff.ac.uk
Patrick R. UnwinUniversity of WarwickVerified email at warwick.ac.uk
Marko M. MelanderAcademy of Finland Research Fellow, Department of Chemistry, University of JyväskyläVerified email at jyu.fi
Julia WestermayrUniversität LeipzigVerified email at uni-leipzig.de
Oliver T. HofmannTU Graz, AustriaVerified email at tugraz.at
Jan HermannMicrosoft Research AI4ScienceVerified email at microsoft.com
Alexandre TkatchenkoProfessor of Physics, University of Luxembourg; Visiting Professor, TU Berlin; APS Fellow; FRSCVerified email at uni.lu

Shayantan Chaudhuri

University of Nottingham

Verified email at nottingham.ac.uk - Homepage

Computational Chemistry Density Functional Theory Materials Science Machine Learning


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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	29	2021
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	20	2022
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	13	2022
Electrochemical Ozone Generation Using Compacted High Pressure High Temperature Synthesized Boron Doped Diamond Microparticle Electrodes GF Wood, IMT Rodríguez, JJ Tully, S Chaudhuri, JV Macpherson Journal of The Electrochemical Society 168 (12), 126514, 2021	6	2021
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	2	2023
Computational simulation of metal nucleation on diamond electrodes S Chaudhuri University of Warwick, 2022	1	2022
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		2023
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		2023

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