Dr. Rakesh S. Singh


Assistant Professor

Department of Chemistry, IISER Tirupati

Email: rssingh@iisertirupati.ac.in

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Research Interests:
  • Structure and dynamics of soft matter
  • Phase transition and polymorph selection
  • Anomalous behavior of water and aqueous solutions
  • Diffusion-controlled reactions in complex environments
  • Method development for robust coarse-graining of complex molecular systems

We employ computer simulations and theoretical tools rooted in statistical mechanics to study phase transformation and polymorph selection, anomalous behavior of water and aqueous solutions, structure and dynamics of soft matter systems, and diffusion-controlled reactions in complex environments.

Educational and Professional Career:
  • Assistant Professor (February 2019 - ) : Indian Institute of Science Education and Research (IISER) Tirupati.
  • Postdoctoral Research Associate (October 2016 - February 2019): Johns Hopkins University, MD, USA.
  • Postdoctoral Research Associate (May 2014 - September 2016): Princeton University, NJ, USA.
  • Ph.D. (October 2013): Indian Institute of Science, Bangalore, India.
  • M.S. (August 2006 - July 2009): Indian Institute of Science, Bangalore, India.
  • B.Sc. (August 2003 - July 2006): Banaras Hindu University, Varanasi, India.
Selected Publications:
  • Rakesh S. Singh, Jeremy C. Palmer, Athanassios Z. Panagiotopoulos and Pablo G. Debenedetti, "Thermodynamic analysis of the stability of planar interfaces between coexisting phases and its application to supercooled water", J. Chem. Phys. 150, 224503 (2019).
  • Rakesh S. Singh, John W. Biddle, Pablo G. Debenedetti, and Mikhail A. Anisimov, "Two-State thermodynamics and the possibility of a liquid-liquid phase transition in supercooled TIP4P/2005 water", J. Chem. Phys. 144, 144504 (2016).
  • Sang Beom Kim, Rakesh S. Singh, Prem K. C. Paul and Pablo G. Debenedetti, "Effects of disulfide bridges and backbone connectivity on water sorption by protein matrices", Scientific Reports, 7, 7957 (2017). († equal contribution)
  • Y. Elia Altabet, Rakesh S. Singh, Frank H. Stillinger and Pablo G. Debenedetti, "Thermodynamic anomalies in stretched water", Langmuir, 33, 11771 (2017). († equal contribution)
  • Sang Beom Kim, Evan M. Sparano, Rakesh S. Singh and Pablo G. Debenedetti, Microscopic origin of hysteresis in water sorption on protein matrices, J. Phys. Chem. Lett. 8, 1185 (2017).
  • Mantu Santra, Rakesh S. Singh and Biman Bagchi, Polymorph selection during crystallization of a model colloidal fluid with a free energy landscape containing a metastable solid, Phys. Rev. E, 98, 032606 (2018).

    Visit Google Scholar for the complete list of publications.
  • CHM-324/624: Statistical Thermodynamics
  • CHM-416/716: Advanced Statistical Mechanics

Open positions:

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  Last Modified : 20 July 2020 UTC 6:14am