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Group Members:
PI

Dr. Shelaka Gupta is currently working as an Assistant Professor in the Department of Chemical Engineering, IIT Hyderabad. She obtained her Ph.D. in Chemical Engineering from IIT Delhi in 2019. She did her Master’s from IIT Roorkee and Bachelors’s from DCRUST Murthal in Chemical Engineering. She has also worked as Assistant Professor in BITS Pilani. She is a co-founder of WowChemE Pvt Ltd. at IIT Delhi, which is focused on commercialising biorenewable products. Her research interests are focused on both experimental and theoretical heterogeneous catalysis for sustainable production of fuels and chemicals. On the theory side she has an expertise in molecular modelling using Density Functional Theory simulations.
Ph.D. Students

Aishwarya K.N. completed her B. Tech in Chemical Engineering and M. Tech in Computer Aided Process Design from Government Engineering College, Calicut, Kerala. Her research is focussed on the rational design of bifunctional catalyst for the production of value-added fuels and chemicals from biomass-derived compounds using Density Functional Theory Simulations, Micro-kinetic Modelling, and Machine Learning.
Google Scholar

Subham Das obtained his Masters from IIT Hyderabad and is currently pursuing Ph.D. under the joint supervision of Dr. Mayur Vaidya from MSME Department and Dr. Shelaka Gupta from Chemical Engineering Department, IIT Hyderabad. He is working on understanding the oxidation and diffusion behaviour of medium entropy alloys using both experimental and theoretical approach.

Ramya S Lakshmi obtained a Bachelor’s degree in Materials Science and Engineering from the National Institute of Technology, Calicut Kerala. She is currently pursuing Ph.D at IIT Hyderabad under the joint supervision of Dr. Mayur Vaidya (MSME Department) and Dr. Shelaka Gupta (Chemical Engineering Department). Her research focuses on Assessing the phase growth in binary metallic system using ab initio calculations and diffusion couple
measurements.
Masters Students:

Prakyath Thalya completed B.E.(Hons.) from BMS College of Engineering, Bangalore, as a Gold medalist. He is currently pursing Master's in Chemical Engineering from IIT Hyderabad and working on developing a ML model for predicting C-H bond activation barrier in methane on transition metal catalysts.

Anusha Barla completed B.Tech. from JNTUH College of Engineering Hyderabad. She is currently pursing Master's in Chemical Engineering from IIT Hyderabad and working on developing a ab initio MKM model for methane dry reforming on bimetallic nanoparticles.
Alumni:
Ph.D.

Dr. Pallavi Dandekar
Google Scholar

Dr. Akshay Tikoo
Google Scholar
M.Tech

Aashi D Parekh (M.tech Batch of 2023)
artience group

Devansh Kaushik (M.tech Batch 2022)

Preetham Kalavakunta (M.tech Batch 2020)
(Nuclear Power Corporation of India Limited)

Papaiahgari Adithya Reddy (M.tech Batch 2021)
(Tata Consultancy Engineering Limited, Mumbai)
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