Molecular Simulation Laboratory

1. Geeta Monpara, Shruti Sharma, Ajay S. Panwar, and M. P. Gururajan, "Construction and working of a hard sphere simulator: Visualization and modelling of atomic structures of materials using gunshots and a speaker", Resonance, (accepted for publication)

 

2. Nabaneeta Mukhopadhyay,   Ajay S. Panwar,   Gulshan Kumar, I. Samajdar and Arup R. Bhattacharyya, “Influence of non-covalent modification of multiwalled carbon nanotubes on the crystallization behaviour of binary blends of polypropylene and polyamide 6”, Phys. Chem. Chem. Phys. DOI:10.1039/C4CP05060F, 2015

 

3. Amrita V. Poyekar, Arup R. Bhattacharyya, Ajay S. Panwar, Gorge P. Simon and D. S. Sutar, “Influence of Noncovalent Modification on Dispersion State of Multiwalled Carbon Nanotubes in Melt-Mixed Immiscible Polymer Blends”, ACS Appl. Mater. Interfaces, 2014, 6, 11054-11067.

 

4. Amrita V. Poyekar, Arup R. Bhattacharyya, Ajay S. Panwar, George P. Simon, “Evolution of phase morphology and ‘network-like’ structure of multiwall carbon nanotubes in binary polymer blends during melt-mixing”, Polymer Engineering & Science DOI: 10.1002/pen.23897.

 

5. Amrita V. Poyekar, Arup R. Bhattacharyya, Rupesh A. Khare, Ajay S. Panwar, George P. Simon, Subhabrata Dhar and J.K. Mishra, “Dispersion, migration, and‘network-like’ structure formation of multiwall carbon nanotubes in co-continuous, binary immiscible blends of polyamide 6 and acrylonitrile–butadiene–styrene copolymer during simultaneous melt-mixing”, Polymer Engineering & Science DOI: 10.1002/pen.23904.

 

6. A. K. Revelly, G. Monpara. R. P. Singh, A. S. Panwar, K. V. M. Krishna, R. Tewari, D. Srivastava, G. K. Dey, and I. Samajdar, "Grain boundary energy and relative ion damage: Experimental observation and molecular dynamics simulation"; Philosophical Magazine Letters, 94, 601-608, 2014

 

7. Ankur Mishra, Ajay S. Panwar, and Buddhapriya Chakrabarti, "Equilibrium Morphologies and Force Extension Behavior for Polymers with Hydrophobic Patches: Role of Quenched Disorder"; Macromolecular Theory and Simulation, 23, 266-278, 2014

 

8. A. K. Revelly, N. Srinivasan, A. S. Panwar, K. V. M. Krishna, R. Tewari, D. Srivastava, G. K. Dey, I. Samajdar, "Orientation sensitivity of focused ion beam damage in pure zirconium: direct experimental observations and molecular dynamics simulations"; Philosophical Magazine, 94, 1601-1621, 2014

 

9. Rupesh A. Khare, Arup R. Bhattacharyya, Ajay S. Panwar, Suryasarathi Bose, Ajit R. Kulkarni, "Dispersion of multiwall carbon nanotubes in blends of polypropylene and acrylonitrile butadiene styrene"; Polymer Engineering & Science 51, 1891-1905, 2011.

 

10. Ajay S. Panwar and M. Muthukumar, “Enzyme-modulated translocation of DNA through a nanopore”; Journal of the American Chemical Society, 131, 18563, 2009