Dr. Rakesh S. Singh


Assistant Professor

Department of Chemistry, IISER Tirupati

Email: rssingh@iisertirupati.ac.in

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
Educational and Professional Career:
  • Assistant Professor (February 2019 - ) : Indian Institute of Science Education and Research (IISER), Tirupati, India
  • Postdoctoral Research Associate (October 2016 - February 2019): Johns Hopkins University, Baltimore, Maryland, USA
  • Postdoctoral Research Associate (May 2014 - September 2016): Princeton University, Princeton, New Jersey, USA.
  • Ph.D. (October 2013): Indian Institute of Science, Bangalore, India
Theme of Research:

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.

Selected Publications:
  1. 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).
  2. 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", Sci. Rep. 7, 7957 (2017).
  3. Y. Elia Altabet*, Rakesh S. Singh*, Frank H. Stillinger and Pablo G. Debenedetti, "Thermodynamic anomalies in stretched water", Langmuir, 33, 11771 (2017).
  4. 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).
  5. 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).
  6. Rakesh S. Singh , Masanori Tachiya and Biman Bagchi, "Polarization caging in diffusion-controlled electron transfer reactions in solution", J. Phys. Chem. B, 114, 12284 (2010).

Open positions:

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