Dr. Shayantan Chaudhuri

Dr. Shayantan (Shay) Chaudhuri is a postdoctoral researcher in the Computational Surface Science Group, primarily focusing on investigating single-source precursors for the electrochemical growth of functional metal dichalcogenide semiconductors. For further information, visit his LinkedIn profile.

Research Focus

Shay’s research focuses on studying the growth of materials and molecules on surfaces at the atomic scale in complex environments. Using a variety of computational methods, including (grand-canonical) density functional theory, tight-binding methods, embedded cluster models, and (generative) machine learning, he aims to decipher how atomistic simulations can play an important role in elucidating initial nucleation processes.

His research is part of a scientific effort to develop modern atomistic theories of atom-by-atom particle growth, and will help guide the controlled design of nanostructured catalysts and semiconductors in the future.

Career

• 2026-present: Research Fellow in Computational Electrochemistry, University of Warwick, United Kingdom
• 2023-26: Research Fellow in Computational Chemistry, University of Nottingham, United Kingdom
• 2023: Research Fellow, University of Warwick, United Kingdom
• 2019-22: PhD Student, University of Warwick, United Kingdom

Background

Shay completed his PhD at the University of Warwick, where he investigated metal nucleation on diamond electrodes using a variety of computational methods. In his previous position, as a research fellow at the University of Nottingham, he was part of a finalist team in the Wellcome Leap-funded Quantum for Bio Program involved in developing novel quantum computing algorithms to enhance quantum chemical simulations for targeted covalent inhibitor design. He has a master’s degree in Diamond Science and Technology as well as a bachelor’s degree in Mathematics, both from the University of Warwick, giving him a uniquely multidisciplinary perspective on computational chemistry.

Publications

For a complete list of publications, visit his Google Scholar profile.