Dr. Padmabati Mondal


Assistant Professor

Department of Chemistry, IISER Tirupati

Email: padmabati.mondal@iisertirupati.ac.in

Phone: +91 877 2500 926

Group Webpage

Research Interests:
  • Excited state quantum chemistry including non-adiabatic processes and spin-crossover in transition metal complexes and biologically relevant organic chromophores.
  • QM/MM study of biological reaction mechanism.
  • Protein-ligand binding study using molecular dynamics simulations.
Educational and professional career:
  • Assistant Professor (February 2019- ) Indian Institute of Science Education and Research Tirupati, India
  • Postdoctoral Researcher (January 2018-Decemeber 2018) Aix-Marseille University, Marseille, France
  • Postdoctoral Researcher (August 2015-October 2017) University of Basel, Basel, Switzerland
  • Postdoctoral Researcher (April 2013- July 2015) Goethe University Frankfurt, Frankfurt am Main, Germany
  • PhD (December 2008-December 2012) Technical University of Munich, Garching, Germany
Honours and Awards:
  • Start-up Research Grant by SERB, Gov. of India
  • Marie Sklodowska Curie Seal of Excellence award by European Commission.
  • CSIR Junior Research Fellowship.
  • Rajiv Gandhi Science Talent Research Scholarship.
  • Jawharlal Nehru Centre for Advanced Scientific Research Summer Research Fellowship.
Recent Selected publications :
  • S. Ray, D. Koner and P. Mondal, High-resolution electronic and vibrational spectroscopy of small-to-medium sized molecules with ab initio potential energy surface (2023), Electron. Struct.,5, 013001.
  • S. Ray and P. Mondal, Electronic substitution effect on the ground and excited state properties of indole chromophore: A computational study (2022), ChemPhysChem, 24, e202200541.
  • S. Das,..,S. Ray and P. Mondal, et al., Why intermolecular nitric oxide (NO) transfer? Exploring the factors and mechanistic aspects of NO transfer reaction(2022), Chem. Sci., 13, 1706.
  • P. Mondal, In Silico decryption of serotonin-receptor binding: local non-covalent interaction and long-range conformational changes (2020), RSc. Adv., 10, 37995.
  • P. Mondal, K. Schwinn and M. Huix-Rotllant, Impact of the redox state of flavin chromophore on the UV-vis spectra, redox and acidity constants and electron affinity (2020), J. Photochem. Photobiol. A: Chemistry, 387, 112164.
  • P. Mondal, G. Granucci, D. Rastädter, M. Persico and I. Burghardt, Azobenzene as a Photoregulator Covalently Attached to RNA : A Quantum Mechanics/Molecular Mechanics Surface Hopping Study, (2018), Chemical Science, 9: 4671.
  • CHM 121 - Physical Chemistry
  • CHM 122 - Chemistry Laboratory I
  • CHM 311/611 - Quantum Chemistry I
  • IDC212 - Computational Methods
  • CHM/PHY 426 - Simulation and Modelling
  • Open positions:

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  Last Modified : 21 March 2023 UTC 10:38am