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Chandan Kumar Choudhury

Polymer and Advanced Materials Laboratry (PAML)
National Chemical Laboratory (NCL)
Pune, Maharashtra
Ph: +91-020-25903148
Fax +91 20 2590 2615

Research Interest

Atomistic Simulations
  • Self-assembly of non-ionic polymer with surfactant.
  • pH dependent simulation of polymer (Polyethyleneimine).
  • Polymer bio-membrane interactions.
Multiscale Simulations
  • Dissipative Particle Dynamic (DPD) Simuation to study the interaction of polymers with bilayers.
  • Coarse Grained (CG) Simulations to study the polymer crystallization.
  • CG simulations of polymer melt.



Anil R. Mhashal, Chandan Kumar Choudhury, and Sudip Roy*, ATP Induced Conformational Flexibility in PcrA Helicase Protein from Molecular Dynamics Simulation

Journal of Molecular Modelling2016, (Accepted)

Chandan Kumar Choudhury, Paola Carbone and Sudip Roy*, Scalability of coarse-grained potentials generated from iterative Boltzmann inversion for polymers: Case study on polycarbonates 

Macroloecular Theory and Simulations2016, (Accepted)


Manoj Kumar, Nagnath G. Patil, Chandan Kumar Choudhury, Sudip Roy, A. V. Ambade, and G. Kumaraswamy*, Compact polar moieties induce lipid-water systems to form discontinuous reverse micellar phase

Soft Matter, 2015, 11 (27), 5417 - 5424 [Featured as inside front cover]


Chandan Kumar Choudhury* , Abhinaw Kumar and Sudip Roy, Characterization of Conformation and Interaction of Gene Delivery Vector Polyethylenimine with Phospholipid Bilayer at Different Protonation State

Biomacromolecules2013, 14 (10), 3759 - 3768

Souvik Chakraborty , Chandan Kumar Choudhury , and Sudip Roy*, Morphology and Dynamics of Carbon Nanotube in Polycarbonate Carbon Nanotube Composite from Dissipative Particle Dynamics Simulation 

Macromolecules2013, 46 (9), 3631 - 3638


Swagata Pahari , Chandan Kumar Choudhury , Prithvi Raj Pandey , Minal More , Arun Venkatnathan , and Sudip Roy*, Molecular Dynamics Simulation of Phosphoric Acid Doped Monomer of Polybenzimidazole: A Potential Component Polymer Electrolyte Membrane of Fuel Cell

The Journal of Physical Chemistry B, 2012, 116 (24), pp 7357–7366

Kamendra P. Sharma, Chandan Kumar Choudhury , Sonal Srivastava , H. Davis , P. R. Rajamohanan, Sudip Roy, and Guruswamy Kumaraswamy*, Assembly of Polyethyleneimine in the Hexagonal Mesophase of Nonionic Surfactant: Effect of pH and Temperature

The Journal of Physical Chemistry B, 2011, 115 (29), pp 9059–90693

Subpages (1): Curriculum Vitae