Dr. Padmabati Mondal
Department of Chemistry, IISER Tirupati
Phone: +91 877 2500 926Group Webpage
- 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: Go back to the Faculty directory