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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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par 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.\par \par }