We give an introduction to the calculation of path integrals on a lattice, with the quantum harmonic oscillator as an example. In addition to providing an explicit computational setup and corresponding pseudocode, we pay particular attention to the existence of autocorrelations and the calculation of reliable errors. The over-relaxation technique is presented as a way to counter strong autocorrelations. The simulation methods can be extended to compute observables for path integrals in other settings.
We present a path integral formulation of Darcy's equation in one dimension with random permeability described by a correlated multivariate lognormal distribution. This path integral is evaluated with the Markov chain Monte Carlo method to obtain pressure distributions, which are shown to agree with the solutions of the corresponding stochastic differential equation for Dirichlet and Neumann boundary conditions. The extension of our approach to flow through random media in two and three dimensions is discussed.
The path integral for classical statistical dynamics is used to determine the properties of one-dimensional Darcy flow through a porous medium with a correlated stochastic permeability for several spatial correlation lengths. Pressure statistics are obtained from the numerical evaluation of the path integral by using the Markov chain Monte Carlo method. Comparisons between these pressure distributions and those calculated from the classic finite-volume method for the corresponding stochastic differential equation show excellent agreement for Dirichlet and Neumann boundary conditions. The evaluation of the variance of the pressure based on a continuum description of the medium provides an estimate of the effects of discretization. Log-normal and Gaussian fits to the pressure distributions as a function of position within the porous medium are discussed in relation to the spatial extent of the correlations of the permeability fluctuations.
The Markov chain Monte Carlo (MCMC) method is used to evaluate the imaginary-time path integral of a quantum oscillator with a potential that includes a quadratic term and a quartic term whose coupling is varied by several orders of magnitude. This path integral is discretized on a time lattice on which calculations for the energy and probability density of the ground state and energies of the first few excited states are carried out on lattices with decreasing spacing to estimate these quantities in the continuum limit. The variation of the quartic coupling constant produces corresponding variations in the optimum simulation parameters for the MCMC method and in the statistical uncertainty for a fixed number of paths used for measurement. The energies and probability densities are in excellent agreement with those obtained from numerical solutions of Schrödinger’s equation. The theoretical and computational framework presented here introduces undergraduates to the path integral formulations of quantum mechanics in real time and the partition function in statistical mechanics in imaginary time. The example of the anharmonic oscillator helps to build an intuition about the MCMC method of evaluating the partition function, which can then be used to solve other problems in physics and beyond.
The pressure and flow statistics of Darcy flow through a random permeable medium are expressed in a form suitable for evaluation by the method of simulated annealing. There are several attractive aspects to using simulated annealing: (i) any probability distribution can be used for the permeability, (ii) there is no need to invert the transmissibility matrix which, while not a factor for single-phase flow, offers distinct advantages for the case of multiphase flow, and (iii) the action used for simulated annealing is eminently suitable for coarse graining by integrating over the short-wavelength degrees of freedom. In this paper, we show that the pressure and flow statistics obtained by simulated annealing are in excellent agreement with the more conventional finite-volume calculations.
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