Shayantan Chaudhuri

7PUBLICATIONS
18CO-AUTHORS
Biomolecular modelling and designElectrical energy generation (incl. renewables, excl. photovoltaics)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matterMetal cluster chemistryOrganic semiconductors
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Publications (7)

|Aug 12, 2025
Challenges and Advances in the Simulation of Targeted Covalent Inhibitors Using Quantum Computing.

Shayantan Chaudhuri, Bang C Huynh, Ross Amory

|Jul 10, 2025
Challenges in the Theory and Atomistic Simulation of Metal Electrodeposition.

Shayantan Chaudhuri, Reinhard J Maurer

|Sep 12, 2024
Quantum Chemical Characterization of Rotamerism in Thio-Michael Additions for Targeted Covalent Inhibitors.

Shayantan Chaudhuri, David M Rogers, Christopher J Hayes

|Nov 07, 2023
libMBD: A general-purpose package for scalable quantum many-body dispersion calculations.

Jan Hermann, Martin Stöhr, Szabolcs Góger

|Aug 23, 2023
Stability of Single Gold Atoms on Defective and Doped Diamond Surfaces.

Shayantan Chaudhuri, Andrew J Logsdail, Reinhard J Maurer

|Sep 12, 2022
Long-range dispersion-inclusive machine learning potentials for structure search and optimization of hybrid organic-inorganic interfaces.

Julia Westermayr, Shayantan Chaudhuri, Andreas Jeindl

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Frequent Collaborators

5 joint publications

Reinhard J Maurer

2 joint publications

Jonathan D Hirst

2 joint publications

David M Rogers

1 joint publications

Neil R Wilson