相关论文: Hard ellipsoids: analytically approaching the exac…

In simulations of crystals, unlike liquids or gases, it may happen that the properties of the studied system depend not only on the volume of the simulation cell but also on its shape. For such cases it is desirable to change the shape of…

We investigate the balanced $M=4$, $p=4$ spin-glass model for a one-dimensional long-range proxy for the finite dimensional short-range $p$-spin glass model to examine the nature of the glass transition beyond mean-field theory. We perform…

We study Hamiltonian Monte Carlo (HMC) for sampling from a strongly logconcave density proportional to $e^{-f}$ where $f:\mathbb{R}^d \to \mathbb{R}$ is $\mu$-strongly convex and $L$-smooth (the condition number is $\kappa = L/\mu$). We…

We show several results on convergence of the Monte Carlo method applied to consistent approximations of the isentropic Euler system of gas dynamics with uncertain initial data. Our method is based on combination of several new concepts. We…

The distribution of solutions of the Thouless-Anderson-Palmer equation is studied by extensive numerical experiments for fully connected 3-body interaction Ising spin glass models in a level of annealed calculation. A recent study predicted…

The transition metal-oxygen bond appears prominently throughout chemistry and solid-state physics. Many materials, from biomolecules to ferroelectrics to the components of supernova remnants contain this bond in some form. Many of these…

The density matrix quantum Monte Carlo (DMQMC) set of methods stochastically samples the exact $N$-body density matrix for interacting electrons at finite temperature. We introduce a simple modification to the interaction picture DMQMC…

We propose extensions and improvements of the statistical analysis of distributed multipoles (SADM) algorithm put forth by Chipot et al. in [6] for the derivation of distributed atomic multipoles from the quantum-mechanical electrostatic…

We give the first rigorous proof of the convergence of Riemannian Hamiltonian Monte Carlo, a general (and practical) method for sampling Gibbs distributions. Our analysis shows that the rate of convergence is bounded in terms of natural…

We study a trapped system of fermions with a zero-range two-body interaction using the shell-model Monte Carlo method, providing {\em ab initio} results for the low particle number limit where mean-field theory is not applicable. We present…

We generalize a recently developed method for accelerated Monte Carlo calculation of path integrals to the physically relevant case of generic many-body systems. This is done by developing an analytic procedure for constructing a hierarchy…

We study two-dimensional critical bootstrap percolation models. We establish that a class of these models including all isotropic threshold rules with a convex symmetric neighbourhood, undergoes a sharp metastability transition. This…

Measurements of the ratio of the proton elastic form factors ($\mu_pG_E/G_M$) using Rosenbluth separation and those using polarization-based techniques show a strong discrepancy, which has persisted both in modern experimental results and…

Extended solids are frequently simulated as finite systems with periodic boundary conditions, which due to the long-range nature of the Coulomb interaction may lead to slowly decaying finite- size errors. In the case of Quantum-Monte-Carlo…

We present a general framework for performing "bold-line" diagrammatic Monte Carlo calculations based on using an analytical partial resummation as a starting point for stochastically summing all diagrams. As an example we solve the one…

We investigate the dynamical and steady-state spin response of the nonequilibrium Anderson model to magnetic fields, bias voltage, and temperature using a numerically exact method combining a bold-line quantum Monte Carlo technique with the…

We show how to generalize the Lattice Switch Monte Carlo method to calculate the phase diagram of a binary system. A global coordinate transformation is combined with a modification of particle diameters, enabling the multi-component system…

We present a worm-type Monte Carlo study of several typical models in the three-dimensional (3D) U(1) universality class, which include the classical 3D XY model in the directed flow representation and its Villain version, as well as the 2D…

An approximate treatment of exchange in finite-temperature path integral Monte Carlo simulations for fermions has been proposed. In this method, some of the fine details of density matrix due to permutations have been smoothed over or…

The random splitting Langevin Monte Carlo could mitigate the first order bias in Langevin Monte Carlo with little extra work compared other high order schemes. We develop in this work an analysis framework for the sampling error under…