Description

This is a quantum simulation program from the `Shumway Research Group <http://shumway.physics.asu.edu>`_, which focuses on applications to nanoscience and technology. Path integral Monte Carlo (PIMC) simulates particles (often electrons and ions) by directly sampling the canonical partition function. In the path integral formulation of quantum statistical mechanics developed by Richard Feynman, particles get represented by closed imaginary-time trajectories of length ℏ/kT. PIMC simulations are able to compute total energies, correlation functions, charge distribution, and linear response functions for thermal equilibrium.