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Dr. Prasanth P  Jose,
Assistant Professor Physics
School of Basic Sciences
IIT Mandi

email: prasanth [at] iitmandi.ac.in 



Research

Similarities between protein folding and granular jamming

Grains and glasses, widely different materials, arrest their motions upon decreasing temperature and external load, respectively, in common ways, leading to a universal jamming phase diagram conjecture. However, unified theories are lacking, mainly because of the disparate nature of the particle interactions. Here we demonstrate that folded proteins exhibit signatures common to both glassiness and jamming by using temperature- and force-unfolding molecular dynamics simulations. 


Phase diagram of proteins
Force chains  granular medium and proteins

Nature Communications  3, 1161 (2012)


Structure and dynamics of the semidilute polymer solution under steady shear


Semidilute polymer solution at equilibrim and  under steady shear flow shows  enhanced scattering  of light. This project models a semidilute solution  with system of chains made up of   beads connected with springs. The long time brownian dynamics  of this system under steady shear flow could reproduce the experimentally observed  light scattering patterns, which shed light on the  microscopic details  of this phenomena.



J. Chem. Phys. 127, 114905 (2007)
J. Chem. Phys. 128, 224910 (2008)

Intra and inter chain contributions of the enhanced light scattering pattern


Dynamics of Liquid Crystals near Isotropic-Nematic phase transition
Isotropic (random orientation) to Nematic (orientationally ordered) phase transition in liquid crystals is a weak first order phase transition.  The properties  of relaxation of conserved and non-conserved variables, orientation, density etc.,  are studied using long time molecular dynamics simulations. The relaxation of the orientational order parameter shows slow down in the pretransition region.

 
J. Chem. Phys. 120, 11256 (2004)
 
J. Chem. Phys. 121 , 6978 (2004)
 Phys. Rev. E 71, 030701(R) (2005)
 Phys. Rev. Lett. 95,197801 (2005)
 Phys. Rev. E 73,31705 (2006)
 J. Chem. Phys. 125, 184901 (2006)
 

Phases of the Gay-Berne ellipsoids with aspect ratio 3


Non equilibrium relaxation through Montecarlo simulations
In this work density relaxation of one dimensional channel is modeled as random walkers that interact through excluded volume interaction (one excludes other from occupying the same site).  The collective relaxation follows a stretched exponential relaxation in the isolated lattice.

J. Chem. Phys. 120, 8327 (2004) 


Clustering of colloids under radiation pressure: A study using Brownian dynamics simulation,
Radiation can exert force on particle by scattering. This effect can be used to control clustering of particles in a solution.  Brownian dynamics simulations used to models dynamics of  particles in an optical trap.

  
J. Chem. Phys. 116, 2556 (2002)

                  


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