Professor Nisanth N. Nair, Dean of Digital Infrastructure and Automation

Prof. Nisanth N. Nair is a Professor in the Department of Chemistry.


He obtained his MSc in Chemistry from IIT Madras in 2001 and PhD from Theoretische Chemie, Universität Hannover, Germany in 2004. After a brief stint of postdoctoral research at Lehrstühl für Theoretische Chemie, Ruhr-Universität Bochum, Germany, he joined IIT Kanpur in 2008 as a faculty member.


Prof. Nair’s research focusses on the development of ab initio molecular dynamics techniques and their applications in studying chemical reactions in solution, enzymes, and various solid catalysts. His group works on the development of new methods for free energy calculations, novel hybrid quantum mechanics/molecular mechanics methods, and developing accurate transferable all-atom force fields. His interest is also in the understanding of the mechanism of antibiotic resistance due to β-Lactamase, predicting mechanism and kinetics of catalytic reactions involving zeolites, and design of new polyimides.


Prof. Nair has numerous awards and recognition to his credit, including, the Young Scientist Medal from Indian Academy of Science Academy (INSA), the Young Associate of Indian Academy of Sciences, Distinguished Lectureship Award from Chemical Society of Japan, Dr. APJ Abdul Kalam HPC Award from Hewlett Packard Enterprise, and Bronze Medal of Chemical Research Society of India among several others.


For more information please visit: https://home.iitk.ac.in/~nnair.


Dean of Digital Infrastructure & Automation
Indian Institute of Technology Kanpur
Kanpur-208 016
Phone: +91-512-2597252
Email: This email address is being protected from spambots. You need JavaScript enabled to view it.

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