Simulating Static and Dynamic Properties of Magnetic Molecules with Prototype Quantum Computers

Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As such, simulating their static and dynamical behavior is intrinsically difficult for a classical computer, due to the exponential increase of required resources with the system size. Quantum computers...

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Bibliographic Details
Published in:Magnetochemistry 2021-08, Vol.7 (8), p.117
Main Authors: Crippa, Luca, Tacchino, Francesco, Chizzini, Mario, Aita, Antonello, Grossi, Michele, Chiesa, Alessandro, Santini, Paolo, Tavernelli, Ivano, Carretta, Stefano
Format: Article
Language:English
Subjects:
Algorithms
Approximation
Boundary conditions
Ferromagnetism
Ground state
Hilbert space
Investigations
magnetic molecules
Magnetic properties
Nuclear cross sections
Prototypes
quantum computer
Quantum computers
Quantum computing
Quantum mechanics
Qubits (quantum computing)
Simulation
Spin dynamics
variational eigensolver
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Summary:Magnetic molecules are prototypical systems to investigate peculiar quantum mechanical phenomena. As such, simulating their static and dynamical behavior is intrinsically difficult for a classical computer, due to the exponential increase of required resources with the system size. Quantum computers solve this issue by providing an inherently quantum platform, suited to describe these magnetic systems. Here, we show that both the ground state properties and the spin dynamics of magnetic molecules can be simulated on prototype quantum computers, based on superconducting qubits. In particular, we study small-size anti-ferromagnetic spin chains and rings, which are ideal test-beds for these pioneering devices. We use the variational quantum eigensolver algorithm to determine the ground state wave-function with targeted ansatzes fulfilling the spin symmetries of the investigated models. The coherent spin dynamics are simulated by computing dynamical correlation functions, an essential ingredient to extract many experimentally accessible properties, such as the inelastic neutron cross-section.
ISSN:2312-7481
2312-7481
DOI:10.3390/magnetochemistry7080117