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Dr. Debdip Bhandary
Assistant Professor
Department of Chemical Engineering IIT BHU.
+91-542-716-5185 (O)
Area of Interest: 
Interfacial Science, Responsive surfaces, Hydro-gels, Structure and Dynamics of bio-molecules on soft interfaces, polymer films, Molecular Simulation Methodology

Brief Academic profile:

I received a Ph.D. in Chemical Engineering from the Indian Institute of Technology Kanpur and continued my post-doctoral research work at the Technical University of Kaiserslautern, Germany. My master's (M. Tech) and bachelor's (B. Tech) in Chemical Engineering are from IIT Kanpur and Calcutta University, respectively. My Ph.D. thesis is focused on the structure and properties of mixed-thiol self-assembled monolayers on gold nanoparticles using molecular simulations. My research interests are the computational investigation of polymers' interfacial properties, responsive surfaces, and hydro-gels, calculation of free energy using MD and MC. 

Ph. D. 2016 Department of Chemical Engineering, Indian Institute of Technology Kanpur, India
M. Tech 2010 Department of Chemical Engineering, Indian Institute of Technology Kanpur, India
B. Tech 2008 Department of Chemical Engineering, University College of Science and Technology, Calcutta University, Kolkata, India
B. Sc 2005 Department of Chemistry, Scottish Church College, Calcutta University, Kolkata, India


ORCID   ||  Google Scholar

List of Publications:

  • Garcia E., Bhandary D., Horsch M. and Hasse H., A molecular dynamics simulation scenario for studying solvent-mediated interactions of polymers and application to thermoresponse of poly(N-isopropylacrylamide) in water, Journal of Molecular Liquids, 268, 294 (2018).
  • Bhandary D., Velachi V., Cordeiro M. N. D. S. and Singh J. K., Kinetics of Formation of Janus Gold Nanoparticles from Nano Droplets of Alkyl Thiols. Langmuir, 33 (12), pp 3056 (2017).
  • Velachi, V., Bhandary, D., Singh, J. K. and Cordeiro, M. N. D. S., Mixed-Ligand Coated Gold Nanoparticles at Striped Phases: New Insights from Molecular Dynamics Simulations, Journal of Chemical Physics, 144, 244710 (2016).
  • Bhandary, D., Benková, Z., Cordeiro, M. N. D. S. and Singh, J. K., Molecular Dynamics Study of Wetting Behaviour of Grafted Thermo-Responsive Polymer Brushes, Soft Matter, 12, 3093 (2016).
  • Vasumathi, V. Bhandary, D. Singh, J. K. and Cordeiro M.N.D.S., Structure of mixed self-Assembled Monolayers on Gold nanoparticles at three different arrangements, Journal of Physical Chemistry C, 119 (6), 3199 (2015).
  • Bhandary, D. Srivastava, K. Srivastava, R. and Singh, J. K. Effects of Electric Field on the Vapor−Liquid Equilibria of Nanoconfined Methanol and Ethanol, Journal of Chemical & Engineering Data, 59, 3090 (2014)
  • Bhandary, D. Khan, S. and Singh, J. K. Structure and Dynamics of n‐Alkanol Monolayers on a Mica Surface. Journal of Physical Chemistry C, 118, 6809 (2014).
  • Khan, S., Bhandary, D. and Singh, J. K. Surface Phase Transitions of Multiple-site Associating Fluids. Molecular Physics, 110, 37 (2012).
  • Bhandary, D., Arul, E. P. and Ghatak, A. Sub-surface Fracture of a Thin Metallic Foil under Impact Loading. International Journal of Solids and Structures, 48, 2902 (2011).
  • Bhandary, D., Madnani, V., Mondal, S. and Ghatak A., Microchannel Embedded Elastomeric Layers for Impact Damping. Journal of Adhesion, 87, 531 (2011).

Research Interests : 

  • Self-assembled Monolayer coated nanoparticles and their interactions with Lipid Membranes 
  • Thermo-physical behavior of polymers in the dilute solutions and grafted
  • Multi-scale modeling of micro to nanoscale processes 
  • Molecular Simulations Methodologies
  • Wetting behavior at soft interfaces
  • Gibbs Free Energy- calculation methodologies in molecular simulations and its applications
  • Dynamics of thin polymer films on surfaces and influence of nano-objects on it  

Simulation tools: 

LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator); GROMACS; In-house codes 

Subjects Taught: 

CHO-102: Fluid Mechanics: Fall 2019-20, 2020-21, 2021-22
CHE-211: Equipment Design: Winter 2019-20, 2020-21

Laboratory course:

Heat Transfer Lab
Equipment Design Lab

Upcoming course: Molecular Simulations in Chemical Engineering


Group Members

Ph. D. Candidates

  1. Mona Vishwakarma
  2. Akanksha Soni


M. Tech Students

  1. Rahul Sonkar
  2. Prateek Choudhury
  3. Avaneesh Kumar

B. Tech Students

  1. Sakshi M. Alegaonkar
  2. Himanshu Pareek

Graduated Students

  1. Gauri Garg

Additional administrative responsibilities:

  • Convener, Department Undergraduate Committee
  • Member, Department Under Graduate Committee
  • In-charge, Department website
  • Secretary, Purchase Committee