A.  Mallick, Saha, S., Pachfule, P., Roy, S., and Banerjee, R., ?Selective CO2 and H-2 adsorption in a chiral magnesium-based metal organic framework (Mg-MOF) with open metal sites?, Journal of Materials Chemistry, vol. 20, no. 41, pp. 9073-9080, 2010.

A.  Mallick, Saha, S., Pachfule, P., Roy, S., and Banerjee, R., ?Structure and gas sorption behavior of a new three dimensional porous magnesium formate?, Inorganic Chemistry, vol. 50, no. 4, pp. 1392-1401, 2011.

S.  Chakraborty and Roy, S., ?Structural, dynamical, and thermodynamical properties of carbon nanotube polycarbonate composites: a molecular dynamics study?, Journal of Physical Chemistry B, vol. 116, no. 10, pp. 3083-3091, 2012.

C. Kumar Choudhury and Roy, S., ?Structural and dynamical properties of polyethylenimine in explicit water at different protonation states: a molecular dynamics study?, Soft Matter, vol. 9, no. 7, pp. 2269-2281, 2013.

A. R.  Mhashal and Roy, S., ?Self-assembly of phospholipids on flat supports?, Physical Chemistry Chemical Physics, vol. 17, no. 46, pp. 31152-31160, 2015.

S.  Chakraborty and Roy, S., ?Structure of nanorod assembly in the gyroid phase of diblock copolymer?, Journal of Physical Chemistry B, vol. 119, no. 22, pp. 6803-6812, 2015.

C. Kumar Choudhury, Carbone, P., and Roy, S., ?Scalability of coarse-grained potentials generated from iterative boltzmann inversion forpolymers: case study on polycarbonates?, Macromolecular Theory and Simulations, vol. 25, no. 3, pp. 274-286, 2016.

S.  Pahari and Roy, S., ?Structural and conformational properties of polybenzimidazoles in melt and phosphoric acid solution: a polyelectrolyte membrane for fuel cells?, RSC Advances, vol. 6, no. 10, pp. 8211-8221, 2016.

P. Raj Pandey, Dhasaiyan, P., Prasad, B. L. V., and Roy, S., ?Structural insight into self assembly of sophorolipids: a molecular dynamics simulation study?, Zeitschrift Fur Physikalische Chemie-International Journal of Research in Physical Chemistry & Chemical Physics, vol. 230, no. 5-7, pp. 819-836, 2016.

S.  Mitra, Kandambeth, S., Biswal, B. P., Khayum, A. M., Choudhury, C. Kumar, Mehta, M. R., Kaur, G., Banerjee, S., Prabhune, A., Verma, S., Roy, S., Kharul, U. K., and Banerjee, R., ?Self-exfoliated guanidinium-based ionic covalent organic nanosheets (iCONs)?, Journal of the American Chemical Society, vol. 138, no. 8, pp. 2823-2828, 2017.