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

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

Email: nnair

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.

  • One postdoctoral position is open; interested applicants can apply to Dr. Nair by email.
  • We are organizing a workshop on free energy calculations and rare event sampling in molecular dynamics simulations: Click here for more details

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

  • Last updated on Jan 7 (2019) by Nisanth N. Nair