Zero and Finite Temperature Quantum Simulations Powered by Quantum Magic

Abstract

We present a comprehensive approach to quantum simulations at both zero and finite temperatures, employing a quantum information theoretic perspective and utilizing the Clifford + $k$Rz transformations. We introduce the "quantum magic ladder", a natural hierarchy formed by systematically augmenting Clifford transformations with the addition of Rz gates. These classically simulable similarity transformations allow us to reduce the quantumness of our system, conserving vital quantum resources. This reduction in quantumness is essential, as it simplifies the Hamiltonian and shortens physical circuit-depth, overcoming constraints imposed by limited error correction. We improve the performance of both digital and analog quantum computers on ground state and finite temperature molecular simulations, not only outperforming the Hartree-Fock solution, but also achieving consistent improvements as we ascend the quantum magic ladder. By facilitating more efficient quantum simulations, our approach enables near-term and early fault-tolerant quantum computers to address novel challenges in quantum chemistry.Comment: 12 pages, 9 figure