Ivano Tavernelli
Affiliations: | Chemistry | École Polytechnique Fédérale de Lausanne, Lausanne, Switzerland |
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| Gandon A, Baiardi A, Ollitrault P, et al. (2024) Nonadiabatic Molecular Dynamics with Fermionic Subspace-Expansion Algorithms on Quantum Computers. Journal of Chemical Theory and Computation |
| Kovyrshin A, Skogh M, Tornberg L, et al. (2023) Nonadiabatic Nuclear-Electron Dynamics: A Quantum Computing Approach. The Journal of Physical Chemistry Letters. 14: 7065-7072 |
| Ollitrault PJ, Miessen A, Tavernelli I. (2021) Molecular Quantum Dynamics: A Quantum Computing Perspective. Accounts of Chemical Research. 54: 4229-4238 |
| Rossmannek M, Barkoutsos PK, Ollitrault PJ, et al. (2021) Quantum HF/DFT-embedding algorithms for electronic structure calculations: Scaling up to complex molecular systems. The Journal of Chemical Physics. 154: 114105 |
| Albareda G, Riera A, González M, et al. (2020) Quantum equilibration of the double-proton transfer in a model system porphine. Physical Chemistry Chemical Physics : Pccp |
| Diamantis P, Tavernelli I, Rothlisberger U. (2020) Redox Properties of Native and Damaged DNA from Mixed Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations. Journal of Chemical Theory and Computation |
| Ollitrault PJ, Baiardi A, Reiher M, et al. (2020) Hardware efficient quantum algorithms for vibrational structure calculations. Chemical Science. 11: 6842-6855 |
| Fumanal M, Corminboeuf C, Smit B, et al. (2020) Optical absorption properties of metal-organic frameworks: solid state versus molecular perspective. Physical Chemistry Chemical Physics : Pccp |
| Sokolov IO, Barkoutsos PK, Ollitrault PJ, et al. (2020) Quantum orbital-optimized unitary coupled cluster methods in the strongly correlated regime: Can quantum algorithms outperform their classical equivalents? The Journal of Chemical Physics. 152: 124107 |
| Barkoutsos PK, Nannicini G, Robert A, et al. (2020) Improving Variational Quantum Optimization using CVaR Quantum. 4: 256 |