Experience

BASF SE, Germany 

(Sept 2024 - Feb 2025)

Project: Design of sustainable organic coatings for metal protection using molecular simulations

Advisor: Dr. Ratan K. Mishra (Senior Scientist)

Key Outcomes:

• Developed INTERFACE force field (IFF) models of iron oxide polymorphs and pH-resolved surfaces

• Developed a workflow to compute various properties of inorganic compounds using

molecular dynamics simulations

• Developed a machine learning-based workflow to optimize the IFF parameters of model compounds

• Developed a GROMACS-based workflow to compute the adsorption free energy of

adsorbate on an adsorbent

This research helps to screen coating materials for metal protection. To the best of our knowledge, this is a pioneering, state-of-the-art effort in India, contributing to both personal expertise and national capability development.

Indian Institute of Technology Bombay, India 

(July 2021 - Present)

Project: Molecular Simulation Studies of Enhanced Oil Recovery

Advisor: Dr. Ateeque Malani (Professor)

Work Done: 

• Investigated the adsorption of light crude oil on the ubiquitous reservoir surfaces and provided guidelines for solvent design for EOR 

• Investigated, how and why, only certain asphaltene molecules in crude oil adsorb on rock surfaces.

• Investigated and compared the adsorption of heavy components (asphaltenes and resin molecules) present in crude oil.

• Investigated and compared the adsorption of heavy- and light-oil.

• Developed an automated molecular dynamics and Monte Carlo simulation package for enhanced sampling simulations

Codes/Workflow Developed: 

1. Calculation of Adsorption Free Energy

2. Automated MC-MD Simulation Package for Enhanced Sampling Simulations

3. Calculation of Mechanical and Interfacial Properties of Crystals

4. MD & MC Simulations of LJ particles

5. One- and two-dimensional density distribution, one- and three-dimensional radial distribution functions, and interaction energies

National Programme on Technology Enhanced Learning (NPTEL), India

(Jan 2023 - May 2026)

Taught and mentored 200+ learners across India.

Course 1: Introduction to Molecular Thermodynamics

Provided insights into the statistical behavior of molecules, their energy distributions, and the relationship between microscopic details and macroscopic observables.

Course 2: Advanced Thermodynamics and Molecular Simulations

Introduced advanced thermodynamic principles and molecular simulation techniques. Offered a deep dive into the statistical mechanics foundation linking molecular behavior to macroscopic chemical engineering phenomena.

Course 3: Chemical Reaction Engineering - I 

Introduced chemical kinetics and reactor design, covering reaction rates, stoichiometry, equilibrium, reaction mechanisms, and mass and energy balances in chemical and biological reacting systems.

Pravara Rural Engineering College (Pune University), India

(Jan 2022 - Jan 2023)

Taught and mentored 120+ undergraduate students of Chemical Engineering.

Course 1: Chemical Process Safety 

Emphasized the critical role of chemical engineers in a safe chemical industry)

Course 2: Environmental Engineering and Pollution Control 

Enlightened students about their evolving role from large-scale manufacturing of chemicals to the large-scale treatment of pollutants

Godrej Industries Ltd. (Chemicals), India

(Oct 2020 - June 2021)

• Worked as an Executive at the New Products Development (NPD) department for the manufacturing of Specialty Chemicals and Surfactants.

• Experience in production planning and execution, HAZOP, PSSR, Safety Improvement, 5S, Industrial Cost Optimization, etc.

Reporting Managers: Rajesh Agrawal (GM-Production)| Sandeep Naidu (DGM-Production)

Godrej Industries Ltd. (Chemicals), India

(May 2019 - July 2019)

Key Outcomes: Increased the effectiveness of sweet water treatment and multiple-effect evaporator in the fat splitting plant (FSP)

Advisor: BJ Prajapati (Factory Head)

Visvesvaraya National Institute of Technology Nagpur, India

(July 2018 - July 2019) 

Chemical Engineering Department

• Represented the department at the institute level in extracurricular and co-curricular activities.

• Contributed to winning the institute gathering for three consecutive years, including the Enthusiasm Trophy.

Indian Institute of Technology Gandhinagar, India

(May 2018 - July 2018)

• Selected for prestigious Summer Research Internship Program (SRIP)

Project: Batch to continuous production of an industrial dye (Industrial project)

Advisor: Dr. Chinmay Ghoroi (Professor)