Topological Origin of the Fermion Sign Problem

Abstract

Monte Carlo simulations are a powerful tool for elucidating the properties of complex systems across many disciplines. Not requiring any a priori knowledge, they are particularly well suited for exploring new phenomena. However, when applied to fermionic quantum systems, quantum Monte Carlo (QMC) algorithms suffer from the so-called "negative sign problem", which causes the computational effort to grow exponentially with problem size. Here we demonstrate that the fermion sign problem originates in topological properties of the configurations. In particular, we show that in the widely used auxiliary field approaches the negative sign of a configuration is a geometric phase that is the imaginary time counterpart of the Aharonov-Anandan phase, and reduces to a Berry phase in the adiabatic limit. This provides an intriguing connection between QMC simulations and classification of topological states. Our results shed clarify the controversially debated origin of the sign problem in fermionic lattice models.