Quantum Simulation Using Path Integrals

Molecular Dynamics

“…There exist rigorous treatments for mapping the equilibrium thermodynamics of a quantum system to a classical dynamics system. For instance path-integral molecular dynamics (PIMD) [56][57] can be used to map each quantum particle to a ring of identical classical particles connected by Planck"s constantdependent springs to represent quantum fluctuations (the "multi-instance" classical MD approach). There are also approaches that correct for the quantum heat capacity effect with single-instance MD 54,58 .…”