Bonn 2025 – scientific programme

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QI: Fachverband Quanteninformation

QI 15: Quantum Computing Implementations (joint session QI/Q)

QI 15.4: Talk

Tuesday, March 11, 2025, 14:45–15:00, HS II

Variational quantum algorithm based self-consistent calculations for the two-site DMFT model on noisy quantum computing hardware — Jannis Ehrlich, •Daniel F. Urban, and Christian Elsässer — Fraunhofer-Institut für Werkstoffmechanik IWM, Freiburg, Germany

Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical resources required for the solution of the underlying auxiliary Anderson impurity model. Here, the possibility of a one-to-one mapping between electronic orbitals and the state of a qubit register suggests a significant computational advantage for the use of a Quantum Computer (QC) for solving DMFT models. In this work we present a QC approach to solve a two-site DMFT model based on the Variational Quantum Eigensolver (VQE) algorithm. We discuss the challenges arising from stochastic errors and suggest a means to overcome unphysical features in the self-energy. We thereby demonstrate the feasibility to obtain self-consistent results of the two-site DMFT model based on VQE simulations with a finite number of shots. We systematically compare results obtained on simulators with calculations on the IBMQ Ehningen QC hardware.

Keywords: Material Simulation; Variational Algorithm; IBMQ hardware; Error mitigation