Quantum Simulations of Strongly Correlated Electron Systems

R. D. Sedgewick

Thomas C. Lang, Martin Bercx, David J. Luitz +3 more

Masatoshi Imada

Quantum simulation results of superconducting correlations for strongly correlated electron systems are reported. An extended-type Hubbard model to take account of the role of oxygen sites in the CuO 2 plane of high- T c oxides is studied primarily. Superconducting susceptibility shows a tendency of quantitative enhancement at lower temperatures in contrast with the case of the single-band Hubbard model. It shows that a coupled two-band system, one with strong and the other with weak correlation, is favorable for superconductivity. A possible connection between superconducting and antiferromagnetic correlation is also discussed.

Utso Bhattacharya, Tobias Graß, Adrian Bachtold +2 more

Quantum simulations can provide new insights into the physics of strongly correlated electronic systems. A well-studied system, but still open in many regards, is the Hubbard-Holstein Hamiltonian, where electronic repulsion is in competition with attraction generated by the electron-phonon coupling. In this context, we study the behavior of four quantum dots in a suspended carbon nanotube and coupled to its flexural degrees of freedom. The system is described by a Hamiltonian of the Hubbard-Holstein class, where electrons on different sites interact with the same phonon. We find that the system presents a transition from the Mott insulating state to a polaronic state, with the appearance of pairing correlations and the breaking of the translational symmetry. These findings will motivate further theoretical and experimental efforts to employ nanoelectromechanical systems to simulate strongly correlated systems with electron-phonon interactions.

Zhongbing Huang

Daniel Marti-Dafcik

Computer simulation is central to understanding the behaviour of matter. Yet, more than a century after the development of quantum theory, first-principles simulation of chemistry remains a daunting challenge, owing to the exponential growth in memory required to represent interacting quantum particles such as electrons in molecules. Quantum computing offers, in principle, a fundamentally more efficient paradigm for simulating quantum systems, with quantum chemistry often cited as a flagship application. However, many quantum algorithms face intrinsic limitations, and any genuine quantum advantage must surpass the strong baseline set by decades of progress in classical algorithms and hardware. While classical methods often suffice for simulating weakly correlated systems, systems with many strongly correlated electrons remain a challenge for both classical and quantum approaches. In this thesis, we develop quantum algorithms for solving the time-independent Schrödinger equation, with a focus on molecular systems with strongly correlated electrons. We introduce a framework for identifying a compact set of states that parametrise the many-body wavefunction by capturing the correlation due to spin coupling between localised electrons. This representation requires very few variational parameters but incurs a very high memory cost on classical computers. To overcome this, we design quantum circuits that efficiently prepare such states by exploiting their symmetry, encoding the dominant entanglement structure of electronic wavefunctions into the initial qubit states. Through theoretical analysis and classical simulations of quantum computers, we show that this substantially reduces the quantum resources required to accurately compute ground- and excitedstate properties. Finally, we develop an approach for approximating the optimal ansatz within the variational quantum eigensolver, an algorithm designed for near-term quantum devices. Our method constructs wavefunctions from products of symmetrypreserving unitary operators and couples discrete and continuous optimisation to yield highly compact representations of strongly correlated electrons using shallow quantum circuits. Together, these results establish complementary directions for embedding problemspecific structure into quantum simulation algorithms, advancing the practical simulation of strongly correlated electrons.