Predicting Novel Binding Modes of Agonists to β Adrenergic Receptors Using All-Atom Molecular Dynamics Simulations. - Stefano Vanni; Marilisa Neri; Ivano Tavernelli; Ursula Rothlisberger (PLoS Comput. Biol., 2011)

Two Misfolding Routes for the Prion Protein around pH 4.5. - Julian Garrec; Ivano Tavernelli; Ursula Rothlisberger (PLoS Comput. Biol., 2013)

Nonadiabatic Molecular Dynamics Based on Trajectories. - Felipe Franco de Carvalho; Marine E. F. Bouduban; Basile F. E. Curchod; Ivano Tavernelli (Entropy, 2014)

Stochastic Matrix-Function Estimators: Scalable Big-Data Kernels with High Performance. - Peter W. J. Staar; Panagiotis Kl. Barkoutsos; Roxana Istrate; A. Cristiano I. Malossi; Ivano Tavernelli; Nikolaj Moll; Heiner Giefers; Christoph Hagleitner; Costas Bekas; Alessandro Curioni (IPDPS, 2016)

First Experiences with ab initio Molecular Dynamics on OpenPOWER: The Case of CPMD. - Valéry Weber; A. Cristiano I. Malossi; Ivano Tavernelli; Teodoro Laino; Costas Bekas; Manish Modani; Nina Wilner; Tom Heller; Alessandro Curioni (ISC Workshops, 2016)

An quantum algorithm for feedforward neural networks tested on existing quantum hardware. - Daniele Bajoni; Dario Gerace; Chiara Macchiavello; Francesco Tacchino; Panagiotis Kl. Barkoutsos; Ivano Tavernelli (ESANN, 2020)

Variational learning for quantum artificial neural networks. - Francesco Tacchino; Panagiotis Kl. Barkoutsos; Chiara Macchiavello; Dario Gerace; Ivano Tavernelli; Daniele Bajoni (QCE, 2020)

Improving Variational Quantum Optimization using CVaR. - Panagiotis Kl. Barkoutsos; Giacomo Nannicini; Anton Robert; Ivano Tavernelli; Stefan Woerner (Quantum, 2020)

Deterministic algorithms for compiling quantum circuits with recurrent patterns. - Davide Ferrari; Ivano Tavernelli; Michele Amoretti (Quantum Inf. Process., 2021)

Algorithmic Error Mitigation Scheme for Current Quantum Processors. - Philippe Suchsland; Francesco Tacchino; Mark H. Fischer; Titus Neupert; Panagiotis Kl. Barkoutsos; Ivano Tavernelli (Quantum, 2021)

Quantum neural networks force fields generation. - Oriel Kiss; Francesco Tacchino; Sofia Vallecorsa; Ivano Tavernelli (Mach. Learn. Sci. Technol., 2022)

Quantum Generative Adversarial Networks For Anomaly Detection In High Energy Physics. - Elie Bermot; Christa Zoufal; Michele Grossi; Julian Schuhmacher; Francesco Tacchino; Sofia Vallecorsa; Ivano Tavernelli (QCE, 2023)

Benchmarking Adaptive Quantum Circuit Optimization Algorithms for Quantum Chemistry. - Waheeda Saib; Xavier Bonet-Monroig; Vedran Dunjko; Ivano Tavernelli; Thomas Bäck; Hao Wang 025 (QCE, 2023)

Quantum anomaly detection in the latent space of proton collision events at the LHC. - Kinga Anna Wozniak; Vasilis Belis; Ema Puljak; Panagiotis Kl. Barkoutsos; Günther Dissertori; Michele Grossi; Maurizio Pierini; Florentin Reiter; Ivano Tavernelli; Sofia Vallecorsa (CoRR, 2023)

Quantum Embedding Method for the Simulation of Strongly Correlated Systems on Quantum Computers. - Max Rossmannek; Fabijan Pavosevic; Angel Rubio; Ivano Tavernelli (CoRR, 2023)

Symmetry-invariant quantum machine learning force fields. - Isabel Nha Minh Le; Oriel Kiss; Julian Schuhmacher; Ivano Tavernelli; Francesco Tacchino (CoRR, 2023)

Quantum algorithms for quantum dynamics. - Alexander Miessen; Pauline J. Ollitrault; Francesco Tacchino; Ivano Tavernelli (Nat. Comput. Sci., 2023)

Quantum machine learning framework for virtual screening in drug discovery: a prospective quantum advantage. - Stefano Mensa; Mustafa Emre Sahin; Francesco Tacchino; Panagiotis Kl. Barkoutsos; Ivano Tavernelli (Mach. Learn. Sci. Technol., 2023)

Optimizing Quantum Classification Algorithms on Classical Benchmark Datasets. - Manuel John; Julian Schuhmacher; Panagiotis Kl. Barkoutsos; Ivano Tavernelli; Francesco Tacchino (Entropy, 2023)

On Hitting Times for General Quantum Markov Processes. - Lorenzo Laneve; Francesco Tacchino; Ivano Tavernelli (Quantum, 2023)

Quantum algorithms for grid-based variational time evolution. - Pauline J. Ollitrault; Sven Jandura; Alexander Miessen; Irene Burghardt; Rocco Martinazzo; Francesco Tacchino; Ivano Tavernelli (Quantum, 2023)

Unravelling physics beyond the standard model with classical and quantum anomaly detection. - Julian Schuhmacher; Laura Boggia; Vasilis Belis; Ema Puljak; Michele Grossi; Maurizio Pierini; Sofia Vallecorsa; Francesco Tacchino; Panagiotis Kl. Barkoutsos; Ivano Tavernelli (Mach. Learn. Sci. Technol., 2023)

Quantum Theory and Application of Contextual Optimal Transport. - Nicola Mariella; Albert Akhriev; Francesco Tacchino; Christa Zoufal; Juan Carlos Gonzalez-Espitia; Benedek Harsanyi; Eugene Koskin; Ivano Tavernelli; Stefan Woerner; Marianna Rapsomaniki; Sergiy Zhuk; Jannis Born (ICML, 2024)

Evolving a Multi-Population Evolutionary-QAOA on Distributed QPUs. - Francesca Schiavello; Edoardo Altamura; Ivano Tavernelli; Stefano Mensa; Benjamin C. B. Symons (CoRR, 2024)

Fermionic wave packet scattering: a quantum computing approach. - Yahui Chai; Arianna Crippa; Karl Jansen; Stefan Kühn; Vincent R. Pascuzzi; Francesco Tacchino; Ivano Tavernelli (Quantum, 2025)