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School of Mechanical and Materials Engineering Faculty

Soumik Banerjee

Soumik Banerjee


  • Ph.D. in Engineering Mechanics, Virginia Tech, Blacksburg, 2008
  • M.S. in Mechanical Engineering, University of Illinois, Chicago, 2004
  • B.S. in Mechanical Engineering, Jadavpur University, Kolkata, India, 2002

Research Interests

  • Nanoscale transport phenomena
  • Molecular modeling of materials
  • Organic photovoltaic solar cells
  • Modeling electrolytes in Li batteries
  • Synthesis and properties of carbon nanostructures

Research Areas

Recognition and Honors

  • 3M Nontenured Faculty Award, 2013
  • Postdoctoral Fellowship at Max Planck Institute for Dynamics of Complex Technical Systems, Germany, 2008 – 2009
  • Pratt Fellowship from Virginia Tech for research and academic accomplishments, Fall 2006 and Spring 2007
  • Best poster award from the Dean’s Forum on Energy Security and Sustainability at Virginia Tech, 2006

Selected Publications

Complete List of Publications on Google Scholar

  •  K. Shah, N. Balsara, S. Banerjee, M. Chintapalli, W. Chiu, A. Cocco, I. Lahiri, S. Martha, A. Mistry, P. Mukherjee, V. Ramadesigan, C. Sharma, V. Subramanian, S. Mitra, and A. Jain, “State-of-the-art and future research needs for multiscale analysis of Li-ion cells”, Journal of Electrochemical Energy Conversion and Storage, vol. 14, 020801-17, 2017
  • SM Mortuza, and S. Banerjee, “Atomistic modeling – Impact and opportunities in thin-film photovoltaic solar cell technologies”, Molecular Simulation, vol. 43 (10-11), pp. 774 – 796, 2017
  • A. Dive, M.K. Song, and S. Banerjee, “Physisorption of solvated polysulfide chains on graphene oxides with varied topologies and functional groups”, Journal of Physical Chemistry C, vol. 121 (9), pp. 5089–5098, 2017
  • SM Mortuza, MFN Taufique, and S. Banerjee, “Solution processed deposition of electron transport layers on perovskite crystal surface – A modeling based study”, Applied Surface Science , vol. 394, pp. 488-497, 2017
  • MFN Taufique, SM Mortuza, and S. Banerjee, “A mechanistic insight into attachment of fullerene derivatives on crystal faces of methyl ammonium lead iodide based perovskites”, Journal of Physical Chemistry C, vol. 120, pp. 22426−22432, 2016
  • S. Kazemiabnavi, Z. Zhang, K. Thornton, and S. Banerjee, “Electrochemical stability window of ionic liquids as the electrolytes for lithium batteries”, Journal of Physical Chemistry B, vol. 120, pp. 5691-5702, 2016
  • S. Banerjee, I. Dutta, and B.S. Majumdar, “A molecular dynamics evaluation of the effect of dopant addition on grain boundary diffusion in tin: Implication for whisker growth”, Materials Science & Engineering A, vol. 666, pp. 191–198, 2016
  • K. Yoo, A. Dive, S. Kazemiabnavi, S. Banerjee, and P. Dutta, “Effects of operating temperature on the electric performance of a Li-air battery operated with ionic liquid electrolyte”, Electrochimica Acta, vol. 194, pp. 317–329, 2016
  • K. Yoo, A. Deshpande, S. Banerjee and P. Dutta, “Electrochemical model for ionic liquid electrolytes in lithium batteries”, Electrochimica Acta, vol. 176, pp. 301-310, 2015
  • S.M. Mortuza, L.K. Kariyawasam and S. Banerjee, “Combined deterministic-stochastic framework for modeling the agglomeration of colloidal particles”, Physical Review E, vol. 92, 013304, 2015
  • S. Kazemiabnavi, P. Dutta, and S. Banerjee, “A density functional theory based study of the electron transfer reaction at the cathode-electrolyte interface in lithium-air battery”, Physical Chemistry Chemical Physics, vol. 17, pp. 11740 – 11751, 2015
  • S. Kazemiabnavi, P. Dutta, and S. Banerjee, “Density functional theory based study of the electron transfer reaction at the lithium metal anode in a lithium–air battery with ionic liquid electrolytes”, Journal of Physical Chemistry C, vol. 118, pp. 27183–27192, 2014
  • M. Mostafa, and S. Banerjee, “Predictive model for alignment and deposition of functionalized nanotubes using applied electric field”, Journal of Applied Physics, vol. 116, 244309, 2014
  • M. Mostafa and S. Banerjee, “Effect of functional group topology of carbon nanotubes on electrophoretic alignment and properties of deposited layer,” The Journal of Physical Chemistry C, vol. 118, pp. 11417-11425, 2014
  • K. Yoo, S. Banerjee and P. Dutta, ”Modeling of volume change phenomena in a Li-air battery”, Journal of Power Sources, vol. 258, pp. 340-350, 2014
  • P.P.S. Saeed Abadi, M.R. Maschmann, S.M. Golam Mortuza, S. Banerjee, J.W. Baur, S. Graham, and B.A. Cola, “Reversible tailoring of mechanical properties of carbon nanotube forests by immersing in solvents”, Carbon, vol. 69, pp. 178–187, 2014
  • A. Deshpande, L. Kariyawasam, P. Dutta, and S. Banerjee, “Enhancement of lithium ion mobility in ionic liquid electrolytes in presence of additives”, Journal of Physical Chemistry C, vol. 117, pp. 25343-25351, 2013
  • S.M. Mortuza, and S. Banerjee, “Solvent-based preferential deposition of functionalized carbon nanotubes on substrates”, Journal of Applied Physics, vol. 114, 074301, 2013
  • S. Banerjee, “Molecular dynamics study of self-agglomeration of charged fullerenes in solvents”, Journal of Chemical Physics, vol. 138, 044318, 2013