Debabrata Bhattacharyya

Led the simulation of strongly correlated systems, particularly hydrogen-bonded molecular systems, using Variational Quantum Eigensolver (VQE). Developed in-house solvers to enhance algorithmic efficiency and coding aspects for quantum computing applications.

Investigated the mechanism of proton transfer in water, focusing on Eigen and Zundel forms, by analyzing spectra of distorted hydronium ions. Utilized DVR/FBR simulations and developed Python code for data analysis, effective Hamiltonian derivation, and matching simulated spectra with experimental results.

Conducted a combined time-independent and time-dependent quantum mechanical study on H atom tunneling in Catecholate Monoanion. Focused on calculating eigenstates and tunneling splittings, and unraveling coupling mechanisms through wave packet dynamics calculations.

Conducted a comprehensive theoretical investigation of H atom tunneling in Catecholate Monoanion, employing combined time-independent and time-dependent quantum mechanical studies. Developed a full-dimensional potential energy surface and performed eigenstate calculations in a 7-dimensional subspace using PODVR. Explored coupling mechanisms and control pathways through wave packet dynamics calcula

Completed a Master of Science degree with a specialization in Physical Chemistry. Acquired advanced theoretical knowledge and practical laboratory skills in various domains of physical chemistry.

Earned a Bachelor of Science degree in Chemistry. Developed a strong foundation in core chemical principles, analytical methods, and laboratory techniques.