Related papers: Direct computation of the quantum partition functi…

For a system of bosons that interact through a class of general memory kernels, a recurrence relation for the partition function is derived within the path-integral formalism. This approach provides a generalization to previously known…

We study the application of the coherent-state path integral as a numerical tool for wave-packet propagation. The numerical evaluation of path integrals is reduced to a matrix-vector multiplication scheme. Together with a split-operator…

A method is presented which allows one to introduce collective coordinates self-consistently, in distinction to the Caldeira-Leggett model. It is demonstrated how the partition function Z for the total nuclear system can be calculated to…

We propose a nonparametric estimator of multivariate joint entropy based on partitioned sample spacing (PSS). The method extends univariate spacing ideas to $\mathbb{R}^{d}$ by partitioning into localized cells and aggregating within-cell…

The path integral of a quantum system with an exact symmetry can be written as a sum of functional integrals each giving the contribution from quantum states with definite symmetry properties. We propose a strategy to compute each of them,…

Discretizations of the Feynman-Kac path integral representation of the quantum mechanical density matrix are investigated. Each infinite-dimensional path integral is approximated by a Riemann integral over a finite-dimensional function…

Probabilistic graphical models have emerged as a powerful modeling tool for several real-world scenarios where one needs to reason under uncertainty. A graphical model's partition function is a central quantity of interest, and its…

The absolute free energy -- or partition function, equivalently -- of a molecule can be estimated computationally using a suitable reference system. Here, we demonstrate a practical method for staging such calculations by growing a molecule…

In this work we introduce a general scheme for measurement based quantum computation in continuous variables. Our approach does not necessarily rely on the use of ancillary cluster states to achieve its aim, but rather on the detection of a…

The development and implementation of increasingly accurate methods for electronic structure calculations mean that, for many atomistic simulation problems, treating light nuclei as classical particles is now one of the most serious…

Alternatively to the full reconstruction of an unknown quantum process, the so-called selective and efficient quantum process tomography (SEQPT) allows estimating, individually and up to the required accuracy, a given element of the matrix…

The path-integral quantization of thermal scalar, vector and spinor fields is performed newly in the coherent-state representation. In doing this, we choose the thermal electrodynamics and $\phi ^4$ theory as examples. By this quantization,…

We study path integration on a quantum computer that performs quantum summation. We assume that the measure of path integration is Gaussian, with the eigenvalues of its covariance operator of order j^{-k} with k>1. For the Wiener measure…

Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current…

Boson sampling has been theoretically proposed and experimentally demonstrated to show quantum computational advantages. However, it still lacks the deep understanding of the practical applications of boson sampling. Here we propose that…

Calculation of Bayesian posteriors and model evidences typically requires numerical integration. Bayesian quadrature (BQ), a surrogate-model-based approach to numerical integration, is capable of superb sample efficiency, but its lack of…

We address the problem of the minus sign sampling for two electron systems using the path integral approach. We show that this problem can be reexpressed as one of computing free energy differences and sampling the tails of statistical…

Quantum process tomography is a useful tool for characterizing quantum processes. This task is essential for the development of different areas, such as quantum information processing. In this work, we present a protocol for selective…

The simulation of electronic properties is a pivotal issue in modern electronic structure theory, driving significant efforts over the past decades to develop protocols for computing energy derivatives. In this work, we address this problem…

The use of random sampling in decision-making and control has become popular with the ease of access to graphic processing units that can generate and calculate multiple random trajectories for real-time robotic applications. In contrast to…