2022 - Present
2018-2022
Mentor: Prof. Vilas G. Gaikar
Studied the behaviour of Ternary systems concerning the extraction of Acetic Acid from Water using different Organic entrainers and studied the effect of impurities (e.g. Formaldehyde) on the extraction of Acetic Acid using Molecular Dynamics (GROMACS)
Advisors: Prof. Surl-Hee (Shirley) Ahn & Prof. Ambarish R. Kulkarni
Developing computational workflows based on machine learning potentials and enhanced sampling methods to study catalyst behavior and interactions.