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We are a group of theoretical chemists interested in structure and dynamics of various liquids (supercooled water, ionic liquid, and many more) and biomolecules. We use computer simulation as our tool of investigation. Our key objective is to build a connection between various experimentally observed properties of various complex liquids and biomolecules with molecular structure and dynamics
Few Recent Publications
Dubey et al. J. Phys. Chem. B 2020 (DOI:10.1021/acs.jpcb.2c00240)
Erimban et al. Phys. Chem. Chem. Phys 2020, 22, 6335-6350
Maiti et al. J. Phys. Chem.B 2022, 126, 1426.
Dubey et al. Chem. Phys. Lett. 2020, 755, 137802.
CSIR-Council of Scientific and Industrial Research (Ongoing)
DST-India-Korea Joint Research Proposals (Ongoing)
SERB-Early Career Research Award (Ongoing)
DST-INSPIRE Ph.D. Fellowship to Shakkira (Ongoing)
We are hiring!! Please contact us for a possible Ph.D./Postdoc. position in Theoretical Physical Chemistry!!
Molecular Dynamics Simulation Group
We try to think like a molecule
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