Ashok Kumar Dasmahapatra

Teaching undergraduates, postgraduates and mentoring research students
IIT Guwahati

Ashok Kumar Dasmahapatra and his group have computational and experimental expertise in understanding self-assembly behaviour of soft matters including polymers and bio-molecules. They have explored diverse self-organizing systems, which include polymers with complex architecture, such as telechelic star polymers, H-shaped branched polymer. The self-assembly of block copolymers and binary blends, which lead to the development of ordered micro/nano architectures. They employ coarse-grained molecular simulation approach to explore the self-assembly behaviour of polymeric materials. The group has expertise in modelling biomolecular systems, such as transport of drug molecules through cell membrane, protein folding and misfolding, aggregation, etc.  

Principal Investigator

Further information

Research interest in relevance of the project
Field of Expertise
Selected publications
Complete list of publications
Contact details

Research interest in relevance of the project

  • Computational bioscience
  • Computational polymer science

Field of Expertise

  • Molecular simulation – Monte Carlo and Molecular Dynamics 

Selected publications

  • Ashok Kumar Dasmahapatra, “Effect of Composition Asymmetry on the Phase Separation and Crystallization in Double Crystalline Binary Polymer Blends: A Dynamic Monte Carlo Simulation Study”, Phys. Chem. B, 121 (23), 5853 – 5866 (2017)
  • Akshay Sridhar, Amit Kumar and Ashok Kumar Dasmahapatra, “Multi-scale molecular dynamics study of cholera pentamer binding toa GM1-phospholipid membrane”, Journal of Molecular Graphics and Modelling, 68, 236 (2016) 
  • Ashok Kumar Dasmahapatra, “Phase Separation and Crystallization in Double Crystalline Symmetric Binary Polymer Blends”, Polym. Res., 23(3), 56 (2016)
  • Sridhar Akshay, Bharath Srikanth, Amit Kumar and Ashok Kumar Dasmahapatra, “Coarse-grain Molecular Dynamics Study of Fullerene Transport across a Cell Membrane”, Chem. Phys., 143, 024907 (2015)
  • Chitrita Kundu and Ashok Kumar Dasmahapatra, “Effect of Block Asymmetry on the Crystallization of Double Crystalline Diblock Copolymers”, Chem. Phys., 141 (4), 044902 (2014)  

Contact details


Department of Chemical Engineering
Indian Institute of Technology Guwahati
Guwahati – 781039
Assam, India


Phone: +91 361 358 2273
Fax: +91 361 358 2291

Amit Kumar
Kalpesh Kapoor