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The Journal of Chemical Physics|July 23, 2026
Benchmarking mixed quantum-classical molecular dynamics for electronic strong couplingArun Kumar Kanakati, Oriol Vendrell, Gerrit GroenhofNature Communications|July 2, 2025
Quantum dynamics simulation of exciton-polariton transportNiclas Krupp, Gerrit Groenhof, Oriol VendrellThe Journal of Chemical Physics|February 9, 2021
Vibronic coupling in the first six electronic states of pentafluorobenzene radical cation: Radiative emission and nonradiative decayArun Kumar Kanakati, S MahapatraChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|May 22, 2023
Photoionization Bands of Cyanogen: Multi-Mode Vibronic Coupling and Renner-Teller EffectsMamilwar Rani, Arun Kumar Kanakati, Susanta MahapatraThe Journal of Chemical Physics|April 11, 2025
Photophysics of meta- and para-nitrophenolate. I. The role of configuration, microsolvation, and solvation on the charge transfer transitionTanmoy Mondal, Arun Kumar Kanakati, S MahapatraMethods in Molecular Biology (Clifton, N.J.)|October 5, 2012
Introduction to QM/MM simulationsGerrit GroenhofThe Journal of Chemical Physics|April 11, 2025
Photophysics of meta- and para-nitrophenolate. II. Electronic spectra and quantum dynamicsTanmoy Mondal, Arun Kumar Kanakati, S MahapatraThe Journal of Physical Chemistry. A|September 20, 2022
Multi-state and Multi-mode Vibronic Coupling Effects in the Photoionization Spectroscopy of AcetaldehydeVadala Jhansi Rani, Arun Kumar Kanakati, S MahapatraThe Journal of Chemical Physics|September 3, 2024
Photoionization of aziridine: Nonadiabatic dynamics of the first six low-lying electronic states of the aziridine radical cationVadala Jhansi Rani, Arun Kumar Kanakati, S MahapatraPhysical Chemistry Chemical Physics : PCCP|April 10, 2026
The Jahn-Teller and pseudo-Jahn-Teller effects in hexafluorobenzene radical cation: nonradiative decay and radiative emissionArun Kumar Kanakati, Vadala Jhansi Rani, S MahapatraPageof 17