Prof. Rachit Khare | Faculty Profile | IIT Delhi - Abu Dhabi

Biosketch

Rachit Khare is an Assistant Professor of Chemical and Process Engineering at the Indian Institute of Technology (IIT) Delhi – Abu Dhabi. Prior to joining IIT Delhi – Abu Dhabi, he served as a Group Leader at the Chair II of Technical Chemistry at the Technical University of Munich (TUM), Germany. His doctoral work focused on developing a mechanistic understanding of light-olefin selectivity in methanol-to-hydrocarbons conversion on zeolites. Dr. Khare has received several recognitions, including the EuroTech Visiting Researcher Fellowship and the Doctoral Dissertation Fellowship.

His research combines kinetic and mechanistic investigations, operando spectroscopy, first-principles molecular simulations, and microkinetic modeling to develop a comprehensive, atomistic understanding of industrially and environmentally relevant catalytic systems. His current research focuses on transition-metal sulfide catalysis, CO₂ capture and utilization, biomass upgrading to sustainable fuels, and polyolefin upcycling. He is also interested in integrating AI/ML into catalysis and reaction engineering research workflows to accelerate catalyst discovery, mechanistic interpretation, and process optimization. He has co-authored more than 30 peer-reviewed publications and delivered over 50 invited and contributed research talks. He has extensive experience in developing operando reaction environments and synchrotron-based characterization methodologies for catalytic systems under realistic reaction conditions.

In addition to research, Dr. Khare is actively involved in teaching and educational innovation at IIT Delhi – Abu Dhabi. His educational activities focus on reimagining experimental chemical engineering education through computer-controlled experiments, virtual laboratories, research data management tools, and automated data analysis workflows. He is also committed to implementing FAIR (Findable, Accessible, Interoperable, and Reusable) data practices to modernize how students and researchers interact with scientific data.

Awards and Recognitions
  • EuroTech Visiting Researcher Fellowship, Technical University of Munich (2024)
  • Doctoral Dissertation Fellowship, University of Minnesota (2015)
  • Best Thesis Award (B.Tech.), Department of Chemical Engineering, IIT Roorkee (2011)
Research Areas
  • Carbon capture, utilization, and conversion
  • Transition-metal sulfide catalysis
  • Biomass conversion to sustainable fuels
  • Catalytic upcycling of plastic waste
  • Data science and AI/ML in catalysis
Recent Publications
  • Wenig, M.; Khare, R.; Jentys, A.; Lercher, J. A. Hydrothermal Stability of Active Sites in Cu-Exchanged Small-Pore Zeolites for NH3-Assisted Selective Catalytic Reduction of NOx. Angewandte Chemie International Edition 2025, 64 (5), e202416954.
  • Löbbert, L.; Ellert, A.; Zhou, M.; Bermejo-Deval, R.; Khare, R.; Sanchez-Sanchez, M.; Lercher, J. A. Isolated Ni2+ Cations as the Active Centers for 1-Butene Dimerization in Zeolites. JACS Au 2025, 5 (7), 3350-3362.
  • Chen, H.; Iyer, J.; Liu, Y.; Krebs, S.; Deng, F.; Jentys, A.; Searles, D. J.; Haider, M. A.; Khare, R.; Lercher, J. A. Mechanism of Electrocatalytic H2 Evolution, Carbonyl Hydrogenation, and C–C Coupling on Cu. Journal of the American Chemical Society 2024, 146 (20), 13949–13961.
  • Zhang, W.; Khare, R.; Hu, W.; Kim, S.; Yuan, C.; Sheng, Y.; Wahl, L.; Mai, J.; Yang, B.; Camaioni, D. M.; Lee, M.-S.; Hu, J.; Gutiérrez, O. Y.; Lercher, J. A. Active Species in Chloroaluminate Ionic Liquids Catalyzing Low-Temperature Polyolefin Deconstruction. Nature Communications 2024, 15 (1), 5785.
  • Zhang, W.; Kim, S.; Wahl, L.; Khare, R.; Hale, L; Hu, J.; Camaioni, D. M.; Gutiérrez, O. Y.; Liu, Y.; Lercher, J. A. Low-Temperature Upcycling of Polyolefins into Liquid Alkanes via Tandem Cracking–Alkylation. Science 2023, 379 (6634), 807–811.
  • Zhao, R.; Khare, R.; Zhang, Y.; Sanchez-Sanchez, M.; Bermejo-Deval, R.; Liu, Y.; Lercher, J. A. An In-Depth Study on the Confinement of Zeolitic Brønsted Acid Sites by Proximal Extra-Framework Si(OH)x Groups. Nature Catalysis 2023, 6 (1), 68–78.