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Ivano Tavernelli

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Ivano Tavernelli

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A wavelet analysis for the X-ray absorption spectra of molecules

Photodynamics of Lys+-Trp Protein Motifs: Hydrogen Bonds Ensure Photostability

On trajectory-based nonadiabatic dynamics: Bohmian dynamics versus trajectory surface hopping

Structure and dynamics of liquid water from ab initio molecular dynamics - Comparison of BLYP, PBE and revPBE density functionals with and without van der Waals corrections

Ultrafast anisotropic x-ray scattering in the condensed phase

Enhanced Sampling Molecular Dynamics Identifies PrPSc Structures Harboring a C-Terminal beta-Core

Integrating computational methods to retrofit enzymes to synthetic pathways

Acid-Induced Degradation of Phosphorescent Dopants for OLEDs and Its Application to the Synthesis of Tris-heteroleptic Iridium(III) Bis-cyclometalated Complexes

Influence of Halogen Atoms on a Homologous Series of Bis-Cyclometalated Iridium(III) Complexes

Excited State Dynamics with Quantum Trajectories