Saswata Roy

Regulated stepwise ESDPT mechanism associated with chalcogen substitutions in BDIBD derivatives

Recent Progresses in Machine Learning Assisted Raman Spectroscopy

Analytical Gradients for Nuclear–Electronic Orbital Time-Dependent Density Functional Theory: Excited-State Geometry Optimizations and Adiabatic Excitation Energies

Predicting Reaction Products and Automating Reactive Trajectory Characterization in Molecular Simulations with Support Vector Machines