Ivano Tavernelli (I Tavernelli)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 35

Top Topics

Transcranial Magnetic Stimulation

Molecular Dynamics

Energy Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry letters

Nature computational science

Physical chemistry chemical physics : PCCP

This page only lists publications with an associated author ORCID identifier.

Publications

Anthony Gandon, Alberto Baiardi, Pauline Ollitrault, Ivano Tavernelli
Nonadiabatic Molecular Dynamics with Fermionic Subspace-Expansion Algorithms on Quantum Computers. Journal of chemical theory and computation 20 (14) (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Anthony Gandon, Alberto Baiardi, Pauline Ollitrault, Ivano Tavernelli
Nonadiabatic Molecular Dynamics with Fermionic Subspace-Expansion Algorithms on Quantum Computers. Journal of chemical theory and computation (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Marie-Anne Hervé du Penhoat, Alexandre Souchaud, Aashini Rajpal, Rodolphe Vuilleumier, Marie-Pierre Gaigeot, Ivano Tavernelli, Kentaro Fujii, Akinari Yokoya, Sergio Diaz-Tendero, Marie-Françoise Politis
Ultrafast fragmentation of highly-excited doubly-ionized deoxyribose: role of the liquid water environment. Physical chemistry chemical physics : PCCP 26 (21) (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Florian Albrecht, Igor Rončević, Yueze Gao, Fabian Paschke, Alberto Baiardi, Ivano Tavernelli, Shantanu Mishra, Harry L Anderson, Leo Gross
The odd-number cyclo[13]carbon and its dimer, cyclo[26]carbon. Science (New York, N.Y.) 384 (6696) (2024)
Marie-Anne Hervé du Penhoat, Alexandre Souchaud, Aashini Rajpal, Rodolphe Vuilleumier, Marie-Pierre Gaigeot, Ivano Tavernelli, Kentaro Fujii, Akinari Yokoya, Sergio Diaz-Tendero, Marie-Françoise Politis
Ultrafast fragmentation of highly-excited doubly-ionized deoxyribose: role of the liquid water environment. Physical chemistry chemical physics : PCCP (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation (2024)
Arseny Kovyrshin, Mårten Skogh, Anders Broo, Stefano Mensa, Emre Sahin, Jason Crain, Ivano Tavernelli
A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born-Oppenheimer formulation of molecular quantum systems. The Journal of chemical physics 158 (21) (2023)
Manuel John, Julian Schuhmacher, Panagiotis Barkoutsos, Ivano Tavernelli, Francesco Tacchino
Optimizing Quantum Classification Algorithms on Classical Benchmark Datasets. Entropy (Basel, Switzerland) 25 (6) (2023)
Max Rossmannek, Fabijan Pavošević, Angel Rubio, Ivano Tavernelli
Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers. The journal of physical chemistry letters (2023)
Igor Rončević, Freddie J Leslie, Max Rossmannek, Ivano Tavernelli, Leo Gross, Harry L Anderson
Aromaticity Reversal Induced by Vibrations in Cyclo[16]carbon. Journal of the American Chemical Society (2023)
Manuel John, Julian Schuhmacher, Panagiotis Barkoutsos, Ivano Tavernelli, Francesco Tacchino
Optimizing Quantum Classification Algorithms on Classical Benchmark Datasets. Entropy (Basel, Switzerland) 25 (6) (2023)
Anton Nykänen, Aaron Miller, N Walter Talarico, Stefan Knecht, Arseny Kovyrshin, Mårten Skogh, Lars Tornberg, Anders Broo, Stefano Mensa, Benjamin C B Symons, Emre Sahin, Jason Crain, Ivano Tavernelli, Fabijan Pavošević
Toward Accurate Post-Born-Oppenheimer Molecular Simulations on Quantum Computers: An Adaptive Variational Eigensolver with Nuclear-Electronic Frozen Natural Orbitals. Journal of chemical theory and computation (2023)
Arseny Kovyrshin, Mårten Skogh, Lars Tornberg, Anders Broo, Stefano Mensa, Emre Sahin, Benjamin C B Symons, Jason Crain, Ivano Tavernelli
Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach. The journal of physical chemistry letters (2023)
Fabijan Pavošević, Ivano Tavernelli, Angel Rubio
Spin-Flip Unitary Coupled Cluster Method: Toward Accurate Description of Strong Electron Correlation on Quantum Computers. The journal of physical chemistry letters (2023)
Yueze Gao, Florian Albrecht, Igor Rončević, Isaac Ettedgui, Paramveer Kumar, Lorel M Scriven, Kirsten E Christensen, Shantanu Mishra, Luca Righetti, Max Rossmannek, Ivano Tavernelli, Harry L Anderson, Leo Gross
On-surface synthesis of a doubly anti-aromatic carbon allotrope. Nature (2023)
Alexander Miessen, Pauline J Ollitrault, Francesco Tacchino, Ivano Tavernelli
Quantum algorithms for quantum dynamics. Nature computational science 3 (1) (2022)
Alexander Miessen, Pauline J Ollitrault, Francesco Tacchino, Ivano Tavernelli
Quantum algorithms for quantum dynamics. Nature computational science 3 (1) (2022)
Alexander Miessen, Pauline J Ollitrault, Francesco Tacchino, Ivano Tavernelli
Quantum algorithms for quantum dynamics. Nature computational science 3 (1) (2022)
Alexander Miessen, Pauline J Ollitrault, Francesco Tacchino, Ivano Tavernelli
Quantum algorithms for quantum dynamics. Nature computational science 3 (1) (2022)
Pauline J Ollitrault, Alexander Miessen, Ivano Tavernelli
Molecular Quantum Dynamics: A Quantum Computing Perspective. Accounts of chemical research 54 (23) (2021)
Francesco Benfenati, Guglielmo Mazzola, Chiara Capecci, Panagiotis Kl Barkoutsos, Pauline J Ollitrault, Ivano Tavernelli, Leonardo Guidoni
Improved Accuracy on Noisy Devices by Nonunitary Variational Quantum Eigensolver for Chemistry Applications. Journal of chemical theory and computation 17 (7) (2021)
Alessandro Chiesa, M Chizzini, Elena Garlatti, Enrico Salvadori, F Tacchino, P Santini, Ivano Tavernelli, R Bittl, Mario Chiesa, Roberta Sessoli, Stefano Carretta
Assessing the Nature of Chiral-Induced Spin Selectivity by Magnetic Resonance. The journal of physical chemistry letters 12 (27) (2021)
Panagiotis Kl Barkoutsos, Fotios Gkritsis, Pauline J Ollitrault, Igor O Sokolov, Stefan Woerner, Ivano Tavernelli
Quantum algorithm for alchemical optimization in material design. Chemical science 12 (12) (2021)
Ivano Tavernelli
Correlation effects in parallel tempering and the role of the swapping frequency. Physical chemistry chemical physics : PCCP 22 (19) (2020)
Pauline J Ollitrault, Alberto Baiardi, Markus Reiher, Ivano Tavernelli
Hardware efficient quantum algorithms for vibrational structure calculations. Chemical science 11 (26) (2020)
Polydefkis Diamantis, Ivano Tavernelli, Ursula Röthlisberger
Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations. Journal of chemical theory and computation 16 (10) (2020)
Polydefkis Diamantis, Ivano Tavernelli, Ursula Röthlisberger
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. Journal of chemical theory and computation 15 (3) (2019)
Manuel Lara-Astiaso, Mara Galli, Andrea Trabattoni, Alicia Palacios, David Ayuso, Fabio Frassetto, Luca Poletto, Simone De Camillis, Jason Greenwood, Piero Decleva, Ivano Tavernelli, Francesca Calegari, Mauro Nisoli, Fernando Martin
Attosecond Pump-Probe Spectroscopy of Charge Dynamics in Tryptophan. The journal of physical chemistry letters 9 (16) (2018)
Marie-Anne Hervé du Penhoat, Nely Rodrı Guez Moraga, Marie-Pierre Gaigeot, Rodolphe Vuilleumier, Ivano Tavernelli, Marie-Fraņcoise Politis
Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation. The journal of physical chemistry. A 122 (24) (2018)
Seung Kyu Min, Federica Agostini, Ivano Tavernelli, E K U Gross
Ab Initio Nonadiabatic Dynamics with Coupled Trajectories: A Rigorous Approach to Quantum (De)Coherence. The journal of physical chemistry letters 8 (13) (2017)
M Micciarelli, B F E Curchod, S Bonella, C Altucci, M Valadan, U Rothlisberger, Ivano Tavernelli
Characterization of the Photochemical Properties of 5-Benzyluracil via Time-Dependent Density Functional Theory. The journal of physical chemistry. A 121 (20) (2017)
Yanouk Cudré, Felipe Franco de Carvalho, Gregory R Burgess, Louise Male, Simon J A Pope, Ivano Tavernelli, Etienne Baranoff
Tris-heteroleptic Iridium Complexes Based on Cyclometalated Ligands with Different Cores. Inorganic chemistry 56 (19) (2017)