Predicting novel binding modes of agonists to β adrenergic receptors using all-atom molecular dynamics simulations. by Stefano Vanni, Marilisa Neri, Ivano Tavernelli, Ursula Rothlisberger

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Quantum Computing in Spin-Adapted Representations for Efficient Simulations of Spin Systems by Anthony Gandon, Alberto Baiardi, Max Rossmannek, Werner Dobrautz, Ivano Tavernelli

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A general framework for active space embedding methods with applications in quantum computing by Stefano Battaglia, Max Rossmannek, Vladimir V. Rybkin, Ivano Tavernelli, Jürg Hutter

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Symmetry-invariant quantum machine learning force fields by Isabel Nha Minh Le, Oriel Kiss, Julian Schuhmacher, Ivano Tavernelli, Francesco Tacchino

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Fermionic wave packet scattering: a quantum computing approach by Yahui Chai, Arianna Crippa, Karl Jansen, Stefan Kühn, Vincent R. Pascuzzi, Francesco Tacchino, Ivano Tavernelli

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Hardware-tailored diagonalization circuits by Daniel Miller, Laurin E. Fischer, Kyano Levi, Eric J. Kuehnke, Igor O. Sokolov, Panagiotis Kl. Barkoutsos, Jens Eisert, Ivano Tavernelli

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