Welcome To Computational Nanoscience Group

Our focus is on the understanding and development of new materials for energy, environment and health applications. We use ab-initio methods, Monte Carlo and Molecular dynamics methods, Coarse-grain molecular dynamics and Brownian Dynamics to predicts properties of varied class of materials viz., nanoclusters, fluids, solids, metals, polymers. The properties of interests are: interfacial properties, phase diagrams (VLE,LLE,SLE), dynamical,electronic, thermal properties and rheological properties.

What We Do

Quick Contact

Prof. Jayant K. Singh
DEPARTMENT OF CHEMICAL ENGINEERING
INDIAN INSTITUTE OF TECHNOLOGY KANPUR
KANPUR-208016; INDIA
Office: 469, Faculty Building (FB)
Lab : Northern Lab.-II, 202A and 202B
Phone : +91-512-259 6141 (office); 7017 (Computational Lab); 6850 (Expt. Lab)
Fax : 91-512-259 0104
Email : jayantks@iitk.ac.in

 

Copyright © Dr. J.K. Singh 2014, IIT Kanpur, India