Krishna R. Nandipati’s research interests span spectroscopy, quantum dynamics & its control of molecular phenomena dominated by vibronic couplings. In particular, he has gained expertise in the simulations of quantum dynamics/spectroscopy of ultrafast nonadiabatic molecular phenomena by developing ab initio vibronic coupling models. Krishna’s interest in studying the quantum molecular dynamics and spectroscopy stems from his Ph.D. (2017) at University of Hyderabad where he worked on quantum optimal control of photo-isomerization/photo- dissociation dynamics in molecules. Prior to his appointment at IIT Madras in October 2023 as an Assistant professor, Krishna did postdoctoral stints in the group of Prof. Wolfgang Domcke, Technical University of Munich (Dec., 2017 – Nov., 2019), where he worked on large-amplitude Jahn-Teller effects in the (V, Nb)F 4 complexes, and in the group of Prof. Oriol Vendrell, University of Heidelberg (Dec., 2019 – Sept., 2023), where his expertise on treating vibronic coupling phenomena got further amplified through the exploration of Jahn-Teller effects in the frontier, and relatively unconventional, topics in theoretical chemistry such as electronic ring current dynamics and polariton polarization dynamics. Krishna did M.Sc., (2011), from the University of Hyderabad, India and his schooling and the studies up to UG were done nearby his native place Konanki village, Andhra Pradesh. Below is the list of research topics that his group is interested in and the publications demonstrating the expertise and skills of the group.
K. R. Nandipati*, and O. Vendrell*, Cavity Jahn-Teller Polaritons in molecules, Phys. Rev. A
107, L061101 (2023). (Letters)
K. R. Nandipati*, and O. Vendrell*, Dynamical Jahn-Teller effects on the generation of
electronic ring currents by circularly polarized light, Phys. Rev. Research 3, L042003 (2021).
O. A. Vasilyev, K. R. Nandipati*, I. S. Navarkin, V. G. Solomonik and W. Domcke, Strong
static and dynamic Jahn-Teller and pseudo Jahn-Teller effects in Niobium tetrafluoride, J.
Chem. Phys. 154, 124305 (2021).
K. R. Nandipati* and O. Vendrell*, On the generation of electronic ring currents under vibronic
coupling effects, J. Chem. Phys. 153, 224308 (2020).
K. R. Nandipati*, O. A. Vasilyev, I. S. Navarkin, V. G. Solomonik and W. Domcke, First-
principles study of large amplitude dynamic Jahn-Teller effects in vanadium tetrafluoride, J.
Chem. Phys. 152, 094304 (2020).
K. R. Nandipati, K. A. Kumar, Z. Lan and S. Mahapatra*, Controlled H-transfer in
malonaldehyde in the electronic ground state mediated through conical intersection of nπ* and
ππ* electronic excited states, Phys. Chem. Chem. Phys. 21, 20018 (2019).