Simulating the Electronic Structure of Graphene Fragments Using Quantum Computing

Quantum simulation is at the forefront of developing use cases for future quantum computers, spanning fields such as quantum chemistry and condensed matter physics. For strongly correlated electron systems, the Hubbard model has served as a standard framework for studying a rich variety of physical phenomena over the last several decades. In this work, we aim to investigate the electronic and magnetic properties of graphene fragments using the Hubbard model. By utilizing advanced quantum computing algorithms, such as quantum phase estimation, we will outline the complete set of quantum circuits necessary to evolve an initial quantum state to its ground state. Through systematic quantum simulations and analyses on both real quantum computers and emulators, we aim to develop a realistic noise model and implement noise-mitigation strategies to accurately determine the phase diagram and ground-state properties.