Areas of Interest
Research Areas¶
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Photochromism
Computational studies of photochromic molecular switches, excited-state mechanisms, and light-induced structural transformations.
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Singlet Fission
Quantum chemical and quantum dynamical investigations of singlet fission, multiexciton generation, and ultrafast excited-state processes.
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Molecular Magnetism
Electronic structure calculations of molecular magnets, magnetic exchange interactions, spin coupling, and magnetic anisotropy.
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Vibrational Quenching
Theoretical analysis of vibrational energy relaxation, non-radiative decay pathways, and vibrational mode coupling.
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Quantum Nuclear Dynamics
Quantum dynamical simulations of nuclear motion, wavepacket propagation, nonadiabatic dynamics, and MCTDH-based methodologies.
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Variable-Temperature NMR
Computational investigation of dynamic molecular processes, conformational exchange, and temperature-dependent NMR spectroscopy.