7 papers
On-surface synthesis and aromaticity of large cyclocarbons
Lisanne Sellies, Marco Vitek, Yueze Gao +12
Molecular rings of N carbon atoms, that is, cyclo[N]carbons, or C, can be formed by tip-induced chemistry [1-7]. Because of their monocyclic geometry, cyclocarbons are fundamen…
Exploring pathways towards quantum advantage in quantum chemistry: the case of a molecule with half-Möbius topology
Samuele Piccinelli, Stefano Barison, Alberto Baiardi +8
We report quantum chemistry calculations performed on superconducting quantum processors for a molecule exhibiting the half-Möbius electronic topology originally introduced by Ron…
A molecule with half-Möbius topology
Igor Roncevic, Fabian Paschke, Yueze Gao +10
Stereoisomers of CCl exhibiting helical orbitals around a ring of carbon atoms were synthesized by atom manipulation on NaCl surfaces. We resolved the enantiomeric geome…
Quantum chemistry with provable convergence via randomized sample-based Krylov quantum diagonalization
Samuele Piccinelli, Alberto Baiardi, Stefano Barison +12
Quantum algorithms based on classical processing of individual samples have recently emerged as the most effective and robust methods to approximate ground-state wave functions of…
Classically Prepared, Quantumly Evolved: Hybrid Algorithm for Molecular Spectra
Alessandro Santini, Stefano Barison, Filippo Vicentini
We introduce a hybrid classical-quantum algorithm to compute dynamical correlation functions and excitation spectra in many-body quantum systems, with a focus on molecular systems.…
Local fermion-to-qudit mappings: a practical recipe for four-level systems
Rodolfo Carobene, Stefano Barison, Andrea Giachero +1
In this paper, we present a new set of local fermion-to-qudit mappings for simulating fermionic lattice systems. We focus on the use of multi-level qudits, specifically ququarts. T…