Dr. Rajib Biswas

Associate Professor

Areas of Interest : Theoretical and Computational Chemistry

  • Spectroscopic modeling of aqueous systems
  • IR spectroscopy guided force-field development
  • Chemical dynamics in condensed phases
  • Properties of confined systems


  • Ph.D, Indian Institute of Science, Bangalore, India (2014)
  • M.Sc, Indian Institute of Technology Madras, Chennai, India (2008)
  • B.Sc, The University of Burdwan, Burdwan, India (2006)

Professional Experience

  • Assistant Professor (2017 - Till Date ), Indian Institute of Technology, Tirupati
  • Postdoctoral: Apr, 2014 – Sept, 2016: The University of Chicago, Chicago, USA.
  • Advisors: Professor Andrei Tokmakoff and Professor Gregory A. Voth

Latest Publications

  • Theoretical spectroscopy of isotopically dilute water and hydrophobicity, K. D. Reddy and R. Biswas, J. Chem. Phys. 153, 094501 (2020).
  • IR spectral assignments for the hydrated excess proton in liquid water, R. Biswas, W. Carpenter, J. Fournier, G. A. Voth and A. Tokmakoff, J. Chem. Phys. 146, 154507 (2017) (Editors’ Choice article).
  • Molecular modeling and assignments of IR spectra of the hydrated excess proton in isotopically dilute water, R. Biswas, W. Carpenter, G. A. Voth and A. Tokmakoff, J. Chem. Phys. 145, 154504 (2016).
  • Role of Pre-Solvation and Anharmonicity in Aqueous Phase Hydrated Proton Solvation and Transport, R. Biswas, Y. L. Tse, A. Tokmakoff and G. A. Voth, J. Phys. Chem. B 120, 1793, (2016).
  • Layer-wise decomposition of water dynamics in reverse micelles: A simulation study of two-dimensional infrared spectrum, R. Biswas, J. Furtado and B. Bagchi, J. Chem. Phys. 139, 144906, (2013).
  • A kinetic Ising model study of dynamical correlations in confined fluids: Emergence of both fast and slow time scales, R. Biswas and B. Bagchi, J. Chem. Phys. 133, 084509 (2010).

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