I am a third year PhD student in Chemical Engineering at the University at Buffalo (UB). I have done my Bachelors in Chemical Engineering (BEng) from BMS College of Engineering, Bengaluru, India. I am a graduate research assistant in the Hachmann research group at UB, working under Prof. Johannes Hachmann. My work entails handling and management of Big data derived from exploration of millions of candidate compounds and molecular modelling of complex systems to calculate system properties like melting point, density, etc.



My research goals include using molecular modeling, quantum chemistry and machine learning approaches to design superior materials and efficiently handling and maintaining the resulting data.

Molecular Dynamics Approach to Calculate Melting Points of Deep Eutectic Solvents (DES)

This current project that I am involved with, is concerned with developing an efficient and inexpensive protocol to calculate melting point of DES systems and their individual components using computational approaches. The resulting data will be used to propose suitable DES systems that can potentially be used in supercapacitors and replace conventional ionic liquids.


Our research group at UB generates extensive amounts of data pertaining to optical and physical properties of millions of candidate molecules. A Big Data database infrastructure known as ChemBDDB, was created to handle massive amounts of data. My work involved setting up the database methods, tools and templates for the ChemBDDB package.

Effect of Cross Linking on High Refractive Index Polymers

Currently working on this project to use molecular dynamics to create a system of cross linked high refractive index polymers. The goal is to quantify the effect of cross linking on their refractive indices.

Professional Service

Computational Sciences Club, UB (2017-2018)

I serve as the President of the Computational Sciences Club which provides graduate students an opportunity to learn new computational tools, enhance existing skills and share research ideas by organizing workshops, talks and symposiums. These ventures offer an enriching experience as computational scientists from different engineering domains come together to share ideas.

This picture is taken from the annual newsletter of the Department of Chemical and Biological Engineering, UB.

Mechanical Design of a distillation column, UB Engineering Intramurals (2017)

I served as the Project Manager for this interdisciplinary engineering intramural project where chemical engineering students from CE 403, Plant Design class, provided specifications of the distillation process to a group of mechanical and civil engineers, who designed it. I got the unique opportunity to work alongside Dr. Andrew Olewnik, Director of Experiencial Learning at UB, Dr. Johannes Nitsche, Director of Undergraduate studies at UB and the instructor of the CE 403 class, and Mr. Robert G. Harrison, Vice President of Engineering and Construction at Transmission Developers, Inc.