PI's Profile

Education

1. M.S. & PhD - Indian Institute of Technology Madras, Chennai 

Thesis: Multiscale modeling of adsorption hydrogen storage in metal-organic frameworks, PI: Niket S. Kaisare

2. B. Tech in Chemical Engineering - Andhra University College of Engineering, Visakhapatnam 

Professional Experience

1. Assistant Professor - Indian Institute of Petroleum & Energy, Visakhapatnam (2021- Present)

2. Postdoctoral Research Associate at University of Liverpool (2020-2021)

Project: Data-driven modeling and high-throughput screening of metal-organic frameworks for ethane and ethylene separation, PI: Matthew J. Rosseinsky

3. Institute postdoctoral fellowship at the Indian Institute of Technology Madras (2020)

Project: Investigation of oxidative dehydrogenation (ODH) reaction mechanism of ethane to ethylene with CO2

4. Visiting researcher to GE Vernova Bangalore in December 2024 

Research Interest:

1. Adsorption & Separation: 

• Carbon capture from industrial flue gases by metal-organic frameworks

• Hydrogen and Methane storage for automobile applications

• Alkane/Alkene and hydrocarbons non-thermal membrane-based separation from refinery gases

• Rare earth metal recovery 

2. Metal-organic frameworks synthesis, characterization and application 

3. Microwave-assisted pyrolysis for solid waste management

4. Data-driven modeling and high-throughput screening of porous crystalline materials

Techniques used:

• Density functional theory (DFT), Molecular dynamics (MD) & Grand Canonical Monte Carlo (GCMC) Simulations

• Artificial Intelligence and Machine learning and Computational Fluid Dynamics (CFD)

• Dynamic column breakthrough and PSA/VSA/TSA experiments

• Software Tools Used: CFD - COMSOL, Machine Learning - Python/MATLAB, DFT - VASP/Gaussian, Molecular Simulations - RASPA/GULP