Quantum Monte Carlo simulations

Quantum Monte Carlo (QMC) simulations are computational methods used to study complex quantum systems, like atoms, molecules, and materials. They rely on random sampling techniques to estimate the behavior of particles governed by quantum mechanics, which are difficult to solve exactly. By generating many possible configurations and calculating their probabilities, QMC provides accurate predictions of properties such as energy, structure, and reactions. This approach helps scientists understand the quantum nature of matter, especially where traditional methods fall short, enabling advancements in materials science, chemistry, and physics.