Analytic continuation of quantum Monte Carlo data by stochastic analytical inference.

Phys Rev E Stat Nonlin Soft Matter Phys

Institut für Theoretische Physik, Georg-August-Universität Göttingen, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany.

Published: May 2010

We present an algorithm for the analytic continuation of imaginary-time quantum Monte Carlo data which is strictly based on principles of Bayesian statistical inference. Within this framework we are able to obtain an explicit expression for the calculation of a weighted average over possible energy spectra, which can be evaluated by standard Monte Carlo simulations, yielding as by-product also the distribution function as function of the regularization parameter. Our algorithm thus avoids the usual ad hoc assumptions introduced in similar algorithms to fix the regularization parameter. We apply the algorithm to imaginary-time quantum Monte Carlo data and compare the resulting energy spectra with those from a standard maximum-entropy calculation.

Download full-text PDF

Source
http://dx.doi.org/10.1103/PhysRevE.81.056701DOI Listing

Publication Analysis

Top Keywords

monte carlo
16
quantum monte
12
carlo data
12
analytic continuation
8
imaginary-time quantum
8
energy spectra
8
regularization parameter
8
continuation quantum
4
monte
4
carlo
4

Similar Publications

The new submarine volcano Fani Maoré offshore Mayotte (Comoros archipelago) discovered in 2019 has raised the awareness of a possible future eruption in Petite-Terre island, located on the same 60 km-long volcanic chain. In this context of a renewal of the volcanic activity, we present here the first volcanic hazard assessment in Mayotte, focusing on the potential reactivation of the Petite-Terre eruptive centers. Using the 2-D tephra dispersal model HAZMAP and the 1979 - 2021 meteorological ERA-5 database, we first identify single eruptive scenarios of various impacts for the population of Mayotte.

View Article and Find Full Text PDF

Hepatitis C virus (HCV) presents a significant global health issue due to its widespread prevalence and the absence of a reliable vaccine for prevention. While significant progress has been achieved in therapeutic interventions since the disease was first identified, its resurgence underscores the need for innovative strategies to combat it. The nonstructural protein NS5A is crucial in the life cycle of the HCV, serving as a significant factor in both viral replication and assembly processes.

View Article and Find Full Text PDF

Magnetoplumbites are one of the most broadly studied families of hexagonal ferrites, typically with high magnetic ordering temperatures, making them excellent candidates for permanent magnets. However, magnetic frustration is rarely observed in magnetoplumbites. Herein, the discovery, synthesis, and characterization of the first Mn-based magnetoplumbite, as well as the first magnetoplumbite involving pnictogens (Sb), ASbMnO (A = K or Rb) are reported.

View Article and Find Full Text PDF

We present simulation results for the Donnan equilibrium between a homogeneous bulk reservoir and inhomogeneous confining geometries with varying number of restricted dimensions, . Planar slits ( = 1), cylindrical pores ( = 2), and spherical cavities ( = 3) are considered. The walls have a negative surface charge density.

View Article and Find Full Text PDF

Computational generation of cyclic peptide inhibitors using machine learning models requires large size training data sets often difficult to generate experimentally. Here we demonstrated that sequential combination of Random Forest Regression with the pseudolikelihood maximization Direct Coupling Analysis method and Monte Carlo simulation can effectively enhance the design pipeline of cyclic peptide inhibitors of a tumor-associated protease even for small experimental data sets. Further studies showed that such -evolved cyclic peptides are more potent than the best peptide inhibitors previously developed to this target.

View Article and Find Full Text PDF

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!