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Ivano Tavernelli

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Ivano Tavernelli

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Nonadiabatic coupling vectors for excited states within time-dependent density functional theory in the Tamm-Dancoff approximation and beyond

The solvent shell structure of aqueous iodide: X-ray absorption spectroscopy and classical, hybrid QM/MM and full quantum molecular dynamics simulations

Mixed quantum-classical dynamics with time-dependent external fields: A time-dependent density-functional-theory approach

Role of Aggregation in Rhodopsin Signal Transduction

A conserved protonation-induced switch can trigger "ionic lock" formation in adrenergic receptors

Electron Localization Dynamics in the Triplet Excited State of Ru(bpy)3]2+ in Aqueous Solution

Theoretical investigation of the ultrafast dissociation of ionised biomolecules immersed in water: Direct and indirect effects

New Paradigm in Molecular Engineering of Sensitizers for Solar Cell Applications

A combined QM/MM and Classical Molecular Dynamics Study of [Ru(bpy)3]2+ in Water

Non-adiabatic Dynamics Using Time-Dependent Density Functional Theory: assessing the Coupling Strengths