Dr. Snehasis Daschakraborty

Department of Chemistry,

Indian Institute of Technology Patna

E-mail: snehasis[at]iitp.ac.in; snehasis1985[at]gmail.com

Brief Bio-sketch:

Ph.D. 2014 (from SNBNCBS, Kolkata, Jadavpur University)

Postdoctoral Research Associate: University of Colorado Boulder, USA

October, 2013- December 2016.

Asst. Professor, IIT Patna, December 2016-

Research Interest: Molecular Dynamics, Supercooled Water, Hydrophobic Interaction, Dynamics of water around biomolecules

THE ROLE OF JUMP TRANSLATION IN DIFFUSION-VISCOSITY DECOUPLING IN SUPERCOOLED WATER

Some experiments have witnessed increasing decoupling of viscosity from the translational self-diffusion of supercooled water with decreasing temperature. While theory and computer simulation studies indicated the jump translation of the molecules as a probable origin of the above decoupling, a precise quantitative estimation is still lacking. Through a molecular dynamics (MD) simulation study, along with careful consideration of translational jump motion, we have connected the observed decoupling with translational jump-diffusion of the water molecules. By separating out the jump-diffusion contribution from the overall diffusion of the water, we obtain the residual diffusion coefficient, which remains coupled with the viscosity of the medium at the whole temperature range including supercooled regime. These new findings can help to elucidate many experimental studies featuring molecular transport properties, where strong diffusion-viscosity decoupling comes into the picture.