MoleGuLAR: Molecule Generation Using Reinforcement Learning with Alternating Rewards. - Manan Goel; Shampa Raghunathan; Siddhartha Laghuvarapu; U. Deva Priyakumar (J. Chem. Inf. Model., 2021)

Intramolecular proton transfer reaction dynamics using machine-learned ab initio potential energy surfaces. - Shampa Raghunathan; Sai Ajay Kashyap Nakirikanti (Mach. Learn. Sci. Technol., 2023)