EXPERTISE INFORMATION
Research Group
- Modeling, Simulation and Control
Areas of Interest
- Monte - Carlo(MC) and Molecular Dynamics(MD) Simulation: Phase transition of solid-liquid(melting/freezing transition), Thermodynamics, Confined Behavior of Phases, Crystal Structure in Confinement
20
PUBLICATIONS2
DOCTORAL STUDENTS1
CONTINUING EDUCATIONPERSONAL INFORMATION
Chandan Kumar Das
Assistant Professor Grade-I
Chemical Engineering
Room Number: CH-016
Department of Chemical Engineering, National Institute of Technology Rourkela, Sundargarh, Odisha, India - 769008
2014
Ph.D.
CHEMICAL ENGINEERINGIIT KANPUR
2009
M.E
CHEMICAL ENGINEERINGJADAVPUR UNIVERSITY
2007
B.E
CHEMICAL ENGINEERINGJADAVPUR UNIVERSITY
Teaching Experience
- ASSISTANT PROFESSOR, NIT Rourkela, 22 Jun 2020 - Present
- ASSISTANT PROFESSOR, BIT MESRA, RANCHI, 30 Jun 2017 - 28 Apr 2020
- ASSISTANT PROFESSOR, NIT AGARTALA, 14 Jul 2014 - 29 Jun 2017
Total Publications: 20
V. K. Sinha and C. K. Das,"Free energy analysis of solid–liquid coexistence in water under superhydrophilic cylindrical confinement", The Journal of Physical Chemistry B, vol.130, no.12, pp.3398-3410, ACS Publications, March 2026, 10.1021/acs.jpcb.5c07659 Article
A. Debnath and C. K. Das,"Atomistic insights into phase-dependent coalescence mechanisms of InGaN nanoparticles: a molecular dynamics study", Modelling and Simulation in Materials Science and Engineering, vol.34, IOP, April 2026, 10.1088/1361-651X/ae5995 Article
V. K. Sinha and C. K. Das,"Free energy analysis of solid-liquid coexistence in water under superhydrophilic confinement", Journal of Molecular Liquids, vol.435, no.128163, Elsevier 2025, 10.1016/j.molliq.2025.128163 Article
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
Understanding of Molecular Simulation(UMS- 2023) Chemical Engineering (Short-term Course)
- Coordinator
- 19 Jun 2023 - 23 Jun 2023
- Brochure
- CH1400 : Environment and Safety Engineering {Theory}
- CH2411 : Chemical Engineering Thermodynamics {Theory}
- CH4311 : Process Modeling and Simulation {Theory}
- CH3172 : Mass Transfer Operations Laboratory {Practical}
- CH4271 : Materials Handling Laboratory {Practical}
- CH4371 : Process Plant Simulation Laboratory {Practical}
- CH4372 : Computer Aided Design Laboratory {Practical}
- CH4374 : Chemical Engineering Data Analysis Laboratory {Practical}
- CH4375 : Chemical Engineering Data Analysis Laboratory {Practical}
Ph.D. Students [2]
Impact of Confinement on Properties of Water: A Molecular Dynamics Study
Vikas Kumar SinhaEnrolled: Sep 2020Thesis SubmittedSupervisor
Waste water treatment, Nano materials synthesis and application, coagulation/flocculation
Anuj DebnathEnrolled: Aug 2021ContinuingSupervisor
Memberships / Fellowships
- Life Member of IIChE, 2022



