| 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 | 35 | 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 | 27 | 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 | 16 | 2022 |
| 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 | 8 | 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 | 6 | 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 | 3 | 2023 |
| Computational simulation of metal nucleation on diamond electrodes S Chaudhuri University of Warwick, 2022 | 2 | 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 | 1 | 2023 |
| 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, 2024 | | 2024 |
Reinhard J. MaurerProfessor, Department of Chemistry & Department of Physics, University of WarwickVerified email at warwick.ac.uk
