Quantum Simulations
Group Leaders

Example of a quantum machine-learning algorithm for the classification of chemical structures. After extractions of chemical features from a database (e.g., MARVEL database on 2D materials) a distance kernel is trained in a quantum computer. In a second step, the same kernel is used to classify different materials using for instance a quantum support vector machine based on the same quantum kernel.
Related publications (until January 2023)
- S. Barison, F. Vicentini, I. Cirac, G. Carleo, Variational dynamics as a ground-state problem on a quantum computer, Physical Review Research 4, 043161 (2022). [Open Access URL]
Dataset on Materials Cloud.
Group(s): Carleo / Project(s): QS - F. Libbi, J. Rizzo, F. Tacchino, N. Marzari, I. Tavernelli, Effective calculation of the Green's function in the time domain on near-term quantum processors, Physical Review Research 4, 043038 (2022). [Open Access URL]
Group(s): Marzari, Tavernelli / Project(s): QS - J. Rizzo, F. Libbi, F. Tacchino, P. J. Ollitrault, N. Marzari, I. Tavernelli, One-particle Green's functions from the quantum equation of motion algorithm, Physical Review Research 4, 043011 (2022). [Open Access URL]
Group(s): Marzari, Tavernelli / Project(s): QS