S.  Pahari, Choudhury, C. Kumar, Pandey, P. Raj, More, M., Venkatnathan, A., and Roy, S., ?Molecular dynamics simulation of phosphoric acid doped monomer of polybenzimidazole: a potential component polymer electrolyte membrane of fuel cell?, Journal of Physical Chemistry B, vol. 116, no. 24, pp. 7357-7366, 2012.

S.  Chakraborty, Choudhury, C. Kumar, and Roy, S., ?Morphology and dynamics of carbon nanotube in polycarbonate carbon nanotube composite from dissipative particle dynamics simulation?, Macromolecules, vol. 46, no. 9, pp. 3631-3638, 2013.

P. Raj Pandey and Roy, S., ?Model atomistic protrusions favouring the ordering and retention of water?, Physical Chemistry Chemical Physics, vol. 16, no. 30, pp. 15856-15865, 2014.

A.  Kumar, Sakpal, T., Roy, S., and Kumar, R., ?Methane hydrate formation in a test sediment of sand and clay at various levels of water saturation?, Canadian Journal of Chemistry, vol. 93, no. 8, pp. 874-881, 2015.

S.  Das, Baghel, V. Singh, Roy, S., and Kumar, R., ?Molecular dynamics study of model SI clathrate hydrates: the effect of guest size and guest-water interaction on decomposition kinetics?, Physical Chemistry Chemical Physics, vol. 17, no. 14, pp. 9509-9518, 2015.

A. A.  Deshpande, Torris, A. A. T., Pahari, S., Menon, S. K., Badiger, M. V., Rajamohanan, P. R., Wadgaonkar, P. P., Roy, S., and Tonelli, C., ?Mechanism of the formation of microphase separated water clusters in a water-mediated physical network of perfluoropolyether tetraol?, Soft Matter, vol. 14, pp. 2339-2345, 2018.

P.  Sharma, Chakrabarty, S., Roy, S., and Kumar, R., ?Molecular view of CO2 capture by polyethylenimine: role of structural and dynamical heterogeneity?, Langmuir, vol. 34, no. 17, pp. 5138-5148, 2018.

G.  Bhattacharjee, Choudhary, N., Barmecha, V., Kushwaha, O. S., Pande, N. K., Chugh, P., Roy, S., and Kumar, R., ?Methane recovery from marine gas hydrates: a bench scale study in presence of low dosage benign additives?, Applied Energy, vol. 253, p. 113566, 2019.

P.  Nakate, Ghosh, B., Das, S., Roy, S., and Kumar, R., ?Molecular dynamics study on growth of carbon dioxide and methane hydrate from a seed crystal?, Chinese Journal of Chemical Engineering, vol. 27, no. 9, pp. 2074-2080, 2019.