The aim is to bridge the gap between information from the primary molecular structure and useful, applied properties.
1. Elastomeric Polymer Networks
(Crosslinked Network, Fiber Network and Thermoplastic Elastomer morphologies) Our approach developed incorporates primary molecular structural aspects into the theoretical and computational formulations, leading to accurate and objective stress-strain-orientation relationships.
2. Polymer Phase Transitions
This aspect involves computational and theoretical analysis of :
Collapse Transitions of Co-polymers,
Crystallization in Polymers with Additives.
Ab initio Protein Structure Prediction
This research considers the prediction of the three-dimensional structure of a protein molecule, using only the information on the amino-acid sequence of the protein. The initial work in progress, involves generating initial structures via Monte-Carlo methods, followed by energy minimization methods.
Biodegradable Polymers from Renewable Resources
Biodegradable polymers such as poly(l-lactic) acid obtained from non-petrochemical resources such as renewable, agricultural sources, are of immense importance, especially for high volume applications, such as fibers and films. This work aims at designing and synthesizing value added polymers. This work is being carried out under CSIR's (Councl for Scientific and Industrial Research, India) NMITLI (New Millenium Initiative for Technological Leadership in India) Scheme.
Work involves synthesis, processing and solid state polymerization for Value-Added Biodegradable Lactic Acid Polymers and their Nanocomposites.
Other Active Research Interests:
Coarse Graining and Primitive Path Analyses of Polymer Melts , Molecular Thermodynamics, particularly in the area of separation of lactic acid from its fermentation broth.