We examine a new second-order integrator recently found by Omelyan et al. The integration error of the new integrator measured in the root mean square of the energy difference,
Download full-text PDF |
Source |
|---|---|
| http://dx.doi.org/10.1103/PhysRevE.73.036706 | DOI Listing |
Publication Analysis
Top Keywords
Similar Publications
Magnetization of immobilized multi-core particles with varying internal structures.
Phys Chem Chem Phys
January 2025
Ural Federal University, Ekaterinburg, Russia.
This work is devoted to the study of the static magnetization of immobilized multi-core particles (MCPs) and their ensembles. These objects model aggregates of superparamagnetic nanoparticles that are taken up by biological cells and subsequently used, for example, as magnetoactive agents for cell imaging. In this study, we derive an analytical formula that allows us to predict the static magnetization of MCPs consisting of immobilized granules, in which the magnetic moment rotates freely the Néel mechanism.
View Article and Find Full Text PDFAn Extended Langevinized Ensemble Kalman Filter for non-Gaussian Dynamic Systems.
Comput Stat
September 2024
Department of Statistics, Purdue University, West Lafayette, IN 47907.
State estimation for large-scale non-Gaussian dynamic systems remains an unresolved issue, given nonscalability of the existing particle filter algorithms. To address this issue, this paper extends the Langevinized ensemble Kalman filter (LEnKF) algorithm to non-Gaussian dynamic systems by introducing a latent Gaussian measurement variable to the dynamic system. The extended LEnKF algorithm can converge to the right filtering distribution as the number of stages become large, while inheriting the scalability of the LEnKF algorithm with respect to the sample size and state dimension.
View Article and Find Full Text PDFSingle-omics approaches often provide a limited view of complex biological systems, whereas multiomics integration offers a more comprehensive understanding by combining diverse data views. However, integrating heterogeneous data types and interpreting the intricate relationships between biological features-both within and across different data views-remains a bottleneck. To address these challenges, we introduce COSIME (Cooperative Multi-view Integration and Scalable Interpretable Model Explainer).
View Article and Find Full Text PDFContagious acquisition of antimicrobial resistance is critical for explaining emergence in western Canadian feedlots-insights from an agent-based modelling tool.
Front Vet Sci
January 2025
Department of Large Animal Clinical Sciences, Western College of Veterinary Medicine, University of Saskatchewan, Saskatoon, SK, Canada.
Introduction: Antimicrobial resistance (AMR) is a growing threat to the efficacy of antimicrobials in humans and animals, including those used to control bovine respiratory disease (BRD) in high-risk calves entering western Canadian feedlots. Successful mitigation strategies require an improved understanding of the epidemiology of AMR. Specifically, the relative contributions of antimicrobial use (AMU) and contagious transmission to AMR emergence in animal populations are unknown.
View Article and Find Full Text PDFIs the Future of Materials Amorphous? Challenges and Opportunities in Simulations of Amorphous Materials.
ACS Phys Chem Au
January 2025
Department of Chemistry, McGill University, Montréal, Québec H3A 0B8, Canada.
Amorphous solids form an enormous and underutilized class of materials. In order to drive the discovery of new useful amorphous materials further we need to achieve a closer convergence between computational and experimental methods. In this review, we highlight some of the important gaps between computational simulations and experiments, discuss popular state-of-the-art computational techniques such as the Activation Relaxation Technique (ARTn) and Reverse Monte Carlo (RMC), and introduce more recent advances: machine learning interatomic potentials (MLIPs) and generative machine learning for simulations of amorphous matter (e.
View Article and Find Full Text PDFWant 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!