V. K. Sinha, A. K. Metya, and C. K. Das,"Estimation of solid-liquid coexistence curve for coarse-grained water models through reliable free energy method", Fluid Phase Equilibria, vol.577, Elsevier 2024, https://doi.org/10.1016/j.fluid.2023.113985       Article

A. Metya and C. K. Das,"Electrolyte under Molybdenum Disulfide Surfaces: Molecular Insights on Structure and Dynamics of Water", Langmuir, vol.40, no.7, pp.1-9, ACS 2024, View Details       Article

A. Metya and C. K. Das,"Electrolyte under Molybdenum Disulfide Surfaces: Molecular Insights on Structure and Dynamics of Water", Langmuir, vol.40, no.7, pp.3540-3548, ACS 2024, View Details       Article

A. Debnath and C. K. Das,"Theoretical Investigation on the Solid-Liquid Phase Transition of Gallium through Free Energy Analysis", Journal of Molecular Modeling, vol.30, no.111, pp.1-10, Springer 2024, 10.1007/s00894-024-05909-0       Article

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

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