Demonstrating quantum computation for quasiparticle band structures

Understanding and predicting the properties of solid-state materials from first principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve this goal. Here, we demonstrate the first-principles calculation of a quasiparticle band structure on actual quantum computers. This is achieved by hybrid quantum-classical algorithms in conjunction with qubit-reduction and error-mitigation techniques. Our demonstration will pave the way to practical applications of quantum computers. Published by the American Physical Society 2024