معرفی
Shayantan Chaudhuri is a Research Fellow at the School of Chemistry, University of Nottingham, joining the Hirst Group in September 2023. His work focuses on quantum chemistry methods to characterize and accelerate covalent drug design, alongside prior research in computational simulation of metal nucleation on diamond electrodes and property-driven generative design of organic molecules and metal nanoparticles.
Research Interests:
- Quantum Chemistry and DFT-based Methods
- Materials Science (metal nanoparticles, diamond surfaces)
- Machine Learning Applications
- Covalent Drug Design
Scientific Contributions:
- Developed methods for quantum many-body dispersion calculations
- Investigated stability of gold atoms on diamond surfaces
- Studied electrochemical ozone generation using doped diamond electrodes
- Explored adiabatic vs. non-adiabatic electron transfer in 2D materials
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