118 citations · 205 across the 13 of their papers we have counts for
13 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 Ronč…
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.…
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 a promising route to perform large-scale quantum-chemical calculations on pre-fault-…
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…
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…
Quantum-centric computation of molecular excited states with extended sample-based quantum diagonalization
Stefano Barison, Javier Robledo Moreno, Mario Motta
The simulation of molecular electronic structure is an important application of quantum devices. Recently, it has been shown that quantum devices can be effectively combined with c…
Variational Embeddings for Many Body Quantum Systems
Stefano Barison, Filippo Vicentini, Giuseppe Carleo
We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The appr…
Adaptive projected variational quantum dynamics
David Linteau, Stefano Barison, Netanel Lindner +1
We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected Variational Quantum Dynamics (pVQD) algor…
Sequence of penalties method to study excited states using VQE
Rodolfo Carobene, Stefano Barison, Andrea Giachero
We propose an extension of the Variational Quantum Eigensolver (VQE) that leads to more accurate energy estimations and can be used to study excited states. The method is based on…
Variational dynamics as a ground-state problem on a quantum computer
Stefano Barison, Filippo Vicentini, Ignacio Cirac +1
We propose a variational quantum algorithm to study the real time dynamics of quantum systems as a ground-state problem. The method is based on the original proposal of Feynman and…
An efficient quantum algorithm for the time evolution of parameterized circuits
Stefano Barison, Filippo Vicentini, Giuseppe Carleo
We introduce a novel hybrid algorithm to simulate the real-time evolution of quantum systems using parameterized quantum circuits. The method, named "projected - Variational Quantu…
Quantum simulations of molecular systems with intrinsic atomic orbitals
Stefano Barison, Davide Emilio Galli, Mario Motta
Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulation…