Dr. Puneet Gupta

Institute Research Fellow - Outstanding Young Faculty (2023-2026)

Faculty, Department of Chemistry, Indian Institute of Technology Roorkee

Joint Faculty, Center for Sustainable Energy, Indian Institute of Technology Roorkee

Ph.D in Computational Catalysis with Prof. Max C. Holthausen from Goethe University Frankfurt, Germany 

M.Sc. (Integrated) in Chemistry from Indian Institute of Technology Kanpur

Work Experience

Professional Recognition/ Award 

Administrative Roles @ IITR

Teaching@IITR

CYN-309: CHEMISTRY OF INDUSTRIAL PROCESSES  
CYN-104: GENERAL ORGANIC AND INORGANIC CHEMISTRY 
CYN-504: KINETICS AND PHOTOCHEMISTRY
CYN-302: GROUP THEORY AND SPECTROSCOPY
CYN-301: QUANTUM CHEMISTRY AND CHEMICAL BONDING
CYN-610: MOLECULAR MODELING AND SIMULATIONS
CYN-103: COMPUTER PROGRAMMING

CYN-001: PHYSICAL CHEMISTRY

CYN-006: GENERAL CHEMISTRY-II 

Invited Talks

Title of the talk: Hydroxylation of non-activated C−H bonds in a copper complex: a DFT based mechanistic study.

Title of the talk: Potential Energy Diagram of Chemical Reactions: Solving Trivial to Tough Cases using Computations 

Title of the talk: Computational Catalysis: Exploring Metal-free Routes for Selective Methane Oxidation 

Title of the talk: Transition Metal Like Reactivity of Boron Oxide in Presence of Dioxygen for Methane Oxidation

Title of the talk: Boron-based Heterogeneous Catalysts for Methane Oxidation: Catalytic Space, Reactivity and Orbital Analysis