List of works - Ivano Tavernelli

Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence

scientific article published on 16 June 2017

Attosecond Pump-Probe Spectroscopy of Charge Dynamics in Tryptophan

scientific article published on 31 July 2018

Binding of Organometallic Ruthenium(II) and Osmium(II) Complexes to an Oligonucleotide: A Combined Mass Spectrometric and Theoretical Study†

scholarly article by Antoine Dorcier et al published April 2005 in Organometallics

Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory.

scientific article published on 3 May 2017

Correlation effects in parallel tempering and the role of the swapping frequency

scientific article published on 22 April 2020

Hardware efficient quantum algorithms for vibrational structure calculations

scientific article published on 11 June 2020

Hydrophobicity with atomic resolution: Steady-state and ultrafast X-ray absorption and molecular dynamics studies

Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications

scientific article published on 03 June 2021

Influence of Hydrogen-Bonding Substituents on the Cytotoxicity of RAPTA Compounds

Optical absorption properties of metal-organic frameworks: solid state versus molecular perspective

scientific article published on 25 August 2020

Probing the electronic and geometric structure of ferric and ferrous myoglobins in physiological solutions by Fe K-edge absorption spectroscopy

scientific article published on 01 January 2014

Probing the transition from hydrophilic to hydrophobic solvation with atomic scale resolution.

scientific article

Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation

scientific article published on 11 June 2018

Pushing the frontiers of first-principles based computer simulations of chemical and biological systems

scientific article published on January 2011

Quantum equilibration of the double-proton transfer in a model system porphine

scientific article published on 01 October 2020

Quantum neural networks force fields generation

scientific article published in 2022

Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents?

scientific article published on 01 March 2020

Simulations of X-ray absorption spectra: the effect of the solvent.

scientific article published on 29 May 2012

Tris-heteroleptic Iridium Complexes Based on Cyclometalated Ligands with Different Cores

scientific article published on 18 September 2017

Vertical Ionization Energies and Electron Affinities of Native and Damaged DNA Bases, Nucleotides, and Pairs from Density Functional Theory Calculations: Model Assessment and Implications for DNA Damage Recognition and Repair

scientific article published on 11 February 2019

List of works by Ivano Tavernelli