Prospective applicants who are keen on undertaking a PhD in Computational Catalysis and Energy are encouraged to apply. Interested candidates can write to puneet.gupta@cy.iitr.ac.in for further assistant. 

Project 1: Computational Catalysis on Industrially Relevant Chemical Reactions

Project 2: Machine Learning and Catalysis

Project 3: Computational Chemistry on Organometallic Reactions

Project 4: Application of Wave Function Theory on Transition-Metal Catalysed Reactions

Project 5: DFT and Simulations on Battery for Energy Research

For more information, please visit our Website: https://www.puneetguptaiitroorkee.co.in/home