Atomic nuclei constitute strongly correlated quantum many-body systems governed by the strong interaction of QCD. The nuclear shell model, which diagonalizes the Hamiltonian in a basis whose dimension grows exponentially with the number of nucleons, represents a well-established approach for describing their structure. However, this combinatorial explosion confines classical high-performance computing to a restricted fraction of the nuclear chart.
Quantum computers offer a promising alternative through their natural ability to manipulate exponentially large Hilbert spaces. Although we remain in the NISQ era with its noisy qubits, they could revolutionize shell model applications.
This thesis aims to develop a comprehensive approach for quantum simulation of complex nuclear systems. A crucial first milestone involves creating a software interface that integrates nuclear structure data (nucleonic orbitals, nuclear interactions) with quantum computing platforms, thereby facilitating future applications in nuclear physics.
The project explores two classes of algorithms: variational and non-variational approaches. For the former, the expressivity of quantum ansätze will be systematically analyzed, particularly in the context of symmetry breaking and restoration. Variational Quantum Eigensolvers (VQE), especially promising for Hamiltonian-based systems, will be implemented with emphasis on the ADAPT-VQE technique tailored to the nuclear many-body problem.
A major challenge lies in accessing excited states, which are as crucial as the ground state in nuclear structure, while VQE primarily focuses on the latter. The thesis will therefore develop quantum algorithms dedicated to excited states, testing various methods: Hilbert space expansion (Quantum Krylov), response function techniques (quantum equations of motion), and phase estimation-based methods. The ultimate objective is to identify the most suitable approaches in terms of scalability and noise resilience for applications with realistic nuclear Hamiltonians.