All Publications

C. K. Das, M. S. Manna, M. Roy, N. Das, N. B. Nandi, and S. Ghanta,"Design of insensitive high explosives based on FOX-7: a theoretical prospectives", Journal of Molecular Modeling, vol.29, no.355, pp.1-14, Springer, November 2023, https://doi.org/10.1007/s00894-023-05769-0       Article

C. K. Das,"Anomaly in the Behavior of Silicon from Free Energy Analysis: A Computational Study", Evolutionary Computing and Mobile Sustainable Networks. Lecture Notes on Data Engineering and Communications Technologies, ch.39, vol.116, pp.18, Springer, Singapore, NIT Rourkela 2022, 10.1007/978-981-16-9605-3_39       Inbook

C. K. Das,"Puzzling Solid–Liquid Phase Transition of Water (mW) from Free Energy Analysis: A Molecular Dynamics Study", Communication and Intelligent Systems, ch.58, vol.461, pp.745-758, Springer, Singapore, August 2022, /10.1007/978-981-19-2130-8_58       Inbook

M. Ms, C. K. Das, and G. S,"Design of CHNO based new hetero-cyclic high energy density molecules: a theoretical survey", Structural Chemistry, vol.32, no.3, pp.1095-1104, Springer US 2021, 10.1007/s11224-020-01694-7       Article

C. K. Das,"Determination of free energy difference between anomaly solid-liquid phase transitions of silicon using pseudo-supercritical thermodynamic path: a molecular dynamics study", in 7 th ICNTC PROCEEDINGS BOOK, vol.7th, pp.17-22, Published by the ICNTC Secretariat 2021, https://icntcconference.com/wp-content/uploads/2022/01/7TH-ICTNC21-PROCEEDINGS-BOOK.pdf       Inproceedings

C. K. Das and J. K. Singh,"Melting transition of Lennard-Jones Fluid in Cylindrical Pores", Journal of Chemical Physics, vol.140, no.20, pp.4703, AIP 2014, http://dx.doi.org/10.1063/1.4876077       Article

C. K. Das and J. K. Singh,"Oscillatory melting temperature of Stockmayer Fluid in slit pore", Journal of Physical Chemistry C., vol.118, no.20, pp.20848, ACS 2014, x.doi.org/10.1021/jp503044v       Article

C. K. Das and J. K. Singh,"Melting transition of confined Lennard-Jones solids in slit pores", Theor. Chem. Acc., vol.113, no.132, pp.1351, Springer-Verlag Berlin Heidelberg 2013, DOI 10.1007/s00214-013-1351-y       Article

C. K. Das and J. K. Singh,"Effect of confinement on the solid-liquid coexistence of Lennard-Jones Fluid", Journal of Chemical Physics, vol.139, no.17, pp.174706, AIP 2013, http://dx.doi.org/10.1063/1.4827397       Article

H. Sutar and C. K. Das,"Mixing and Segregation Characteristics of Binary Granular Material in Tapered Fluidized Bed: A CFD Study", Engineering, Scientific Research Publishing 2011, 10.4236/eng.2012.44029       Article