Quantum computing for chemistry and physics applications from a Monte Carlo perspective

Abstract

This Perspective focuses on the several overlaps between quantum algorithms and Monte Carlo methods in the domains of physics and chemistry. We will analyze the challenges and possibilities of integrating established quantum Monte Carlo solutions into quantum algorithms. These include refined energy estimators, parameter optimization, real and imaginary-time dynamics, and variational circuits. Conversely, we will review new ideas for utilizing quantum hardware to accelerate the sampling in statistical classical models, with applications in physics, chemistry, optimization, and machine learning. This review aims to be accessible to both communities and intends to foster further algorithmic developments at the intersection of quantum computing and Monte Carlo methods. Most of the works discussed in this Perspective have emerged within the last two years, indicating a rapidly growing interest in this promising area of research.