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Dr. Nisanth N. Nair 
Associate Professor 
Department of Chemistry
Indian Institute of Technology Kanpur
Kanpur 20816, India

Office: Southern Lab 302  
Tel:  +91 512 259 6311 (office)

Email: nnair @iitk.ac.in
          nisanth.nnair @gmail.com

Research: Computational Chemistry

Development of ab initio molecular dynamics techniques and their applications in studying chemical reactions in condensed matter systems. We also work on the development of the CPMD code, developing QM/MM methods, building accurate and transferable "all-atom" molecular mechanics force-fields to treat polymers, surface-polymer interfaces and zeolites. More on my research.

Recent Publications:
For the updated list of publications see Google Scholar or ORCID:
Google Scholar ORCID






Last updated on April 14 (2018) by Nisanth N. Nair