Nonadiabatic Molecular Dynamics Simulations: Synergies between Theory and Experiments von Tavernelli, Ivano

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Gravitational Quantum Dynamics: A Geometrical Perspective von Tavernelli, Ivano

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Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents? von Sokolov, Igor O., Barkoutsos, Panagiotis Kl, Ollitrault, Pauline J., Greenberg, Donny, Rice, Julia, Pistoia, Marco, Tavernelli, Ivano

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Resource-efficient quantum algorithm for protein folding von Robert, Anton, Barkoutsos, Panagiotis Kl, Woerner, Stefan, Tavernelli, Ivano

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Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems von Rossmannek, Max, Barkoutsos, Panagiotis Kl, Ollitrault, Pauline J., Tavernelli, Ivano

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Selectivity in single-molecule reactions by tip-induced redox chemistry von Albrecht, Florian, Fatayer, Shadi, Pozo, Iago, Tavernelli, Ivano, Repp, Jascha, Peña, Diego, Gross, Leo

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Nonunitary Operations for Ground-State Calculations in Near-Term Quantum Computers von Mazzola, Guglielmo, Ollitrault, Pauline J., Barkoutsos, Panagiotis Kl, Tavernelli, Ivano

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Improving Variational Quantum Optimization using CVaR von Barkoutsos, Panagiotis Kl, Nannicini, Giacomo, Robert, Anton, Tavernelli, Ivano, Woerner, Stefan

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Trajectory surface hopping within linear response time-dependent density-functional theory von Tapavicza, Enrico, Tavernelli, Ivano, Rothlisberger, Ursula

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Quantum algorithms for quantum dynamics: A performance study on the spin-boson model von Miessen, Alexander, Ollitrault, Pauline J., Tavernelli, Ivano

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A quantum computing implementation of nuclearelectronic orbital (NEO) theory: Toward an exact pre-Born–Oppenheimer formulation of molecular quantum systems von Kovyrshin, Arseny, Skogh, Mårten, Broo, Anders, Mensa, Stefano, Sahin, Emre, Crain, Jason, Tavernelli, Ivano

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Quantum optimization using variational algorithms on near-term quantum devices von Moll, Nikolaj, Barkoutsos, Panagiotis, Bishop, Lev S, Chow, Jerry M, Cross, Andrew, Egger, Daniel J, Filipp, Stefan, Fuhrer, Andreas, Gambetta, Jay M, Ganzhorn, Marc, Kandala, Abhinav, Mezzacapo, Antonio, Müller, Peter, Riess, Walter, Salis, Gian, Smolin, John, Tavernelli, Ivano, Temme, Kristan

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Vibrational coherence transfer in the ultrafast intersystem crossing of a diplatinum complex in solution von Monni, Roberto, Capano, Gloria, Auböck, Gerald, Gray, Harry B., Vlček, Antonín, Tavernelli, Ivano, Chergui, Majed

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Deterministic algorithms for compiling quantum circuits with recurrent patterns von Ferrari, Davide, Tavernelli, Ivano, Amoretti, Michele

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Quantum equation of motion for computing molecular excitation energies on a noisy quantum processor von Ollitrault, Pauline J., Kandala, Abhinav, Chen, Chun-Fu, Barkoutsos, Panagiotis Kl, Mezzacapo, Antonio, Pistoia, Marco, Sheldon, Sarah, Woerner, Stefan, Gambetta, Jay M., Tavernelli, Ivano

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Quantum algorithm for alchemical optimization in material design von Barkoutsos, Panagiotis Kl, Gkritsis, Fotios, Ollitrault, Pauline J, Sokolov, Igor O, Woerner, Stefan, Tavernelli, Ivano

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New Paradigm in Molecular Engineering of Sensitizers for Solar Cell Applications von Bessho, Takeru, Yoneda, Eiji, Yum, Jun-Ho, Guglielmi, Matteo, Tavernelli, Ivano, Imai, Hachiro, Rothlisberger, Ursula, Nazeeruddin, Mohammad K, Grätzel, Michael

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Nonadiabatic coupling vectors within linear response time-dependent density functional theory von Tavernelli, Ivano, Tapavicza, Enrico, Rothlisberger, Ursula

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Quantum-optimal-control-inspired ansatz for variational quantum algorithms von Choquette, Alexandre, Di Paolo, Agustin, Barkoutsos, Panagiotis Kl, Sénéchal, David, Tavernelli, Ivano, Blais, Alexandre

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Mixed time-dependent density-functional theory/classical trajectory surface hopping study of oxirane photochemistry von Tapavicza, Enrico, Tavernelli, Ivano, Rothlisberger, Ursula, Filippi, Claudia, Casida, Mark E.

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