P. Thakkar,  S. S. Payra, Y. Lenka, S. K. Pandit, S. Nath, K. R. Nandipati,  and G. Aravind, Formation of nitrogen-bearing polycyclic aromatic hydrocarbons under UV-induced ion-molecular reactions (under revision in Astrophysical journal)

S. K. Pandit#, A. Pandey#, A. Shankar*, and K. R. Nandipati*, Collective Vibronic Cascade in Cavity-Coupled Jahn-Teller Active Molecules , Phys. Rev. A 114, 012802 (2026) .

 S. S. Payra,  P. Thakkar,S. Gupta , R. Mathews, Y. Lenka, S. Dutta, N. Behera, K. R. Nandipati , G. Aravind, Observation of spontaneous N-bearing PAH formation using ion trap: a mechanism viable in the interstellar medium, The Astrophysical Journal accepted, 2026).

A. Alavi, K. Atalar, T. Berkelbach, G. H. Booth, J. Chen, D. Danilov, W. Dobrautz, F. A. Evangelista, G. Harsha, V. Kapil, K. Liao, P. Loos, K. R. Nandipati, F. Plasser, A. W. Prentice, M. Reiher, B. Rubenstein, B. X. Shi, A. J. W. Thom,  Z. Wang, C. Mejuto-Zaera, D. Zgid, and Martijn A. Zwijnenburg, Stochastic and low-scaling techniques/extended systems: general discussion,  Faraday Discuss. 254, 570 (2024). https://doi.org/10.1039/d4fd90043j

 K. R. Nandipati#*, S. Sasmal#* and O. Vendrell*, Inverse optically-induced ring currents in ring-shaped molecules J. Phys. Chem. Lett. 15, 5034 (2024).  (# contributed equally)

 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, 2021, 3, L042003(1-5) (Letters).

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., 2021, 154, 124305(1-22).

 K. R. Nandipati* and O. Vendrell*, On the generation of electronic ring currents under vibronic coupling effects, J. Chem. Phys. 2020, 153, 224308(1-8).

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. 2020, 152, 094304(1-11).

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., 2019, 21, 20018-20030.

K. R. Nandipati, Z. Lan, H. Singh and S. Mahapatra*, An alternative laser-driven photodissociation mechanism of pyrrole via πσ*/S0 conical intersection, J. Chem. Phys., 2017, 146, 214306(1-8).

K. R. Nandipati, K. A. Kumar, Z. Lan, H. Singh and S. Mahapatra*, Initial state-specific   photodissociation dynamics of pyrrole via πσ*/S0 conical intersection initiated with optimally controlled UV-laser pulses, Eur. Phys. J. D, 2017, 71, 222(1-9).

K. R. Nandipati* and K. A. Kumar, Optimal control of vibrational transitions of HCl, Pramana -    J. Phys., 2016, 87, 50(1-11).

K. R. Nandipati, H. Singh, S. Nagaprasad Reddy, K. A. Kumar and S. Mahapatra*; Optimal initiation of electronic excited state mediated intramolecular H-transfer in malonaldehyde by UV-laser pulses, Eur. Phys. J. D, 2014, 68, 355(1-10).