Results 181 to 190 of about 98,722 (340)

Sequential Monte Carlo with likelihood tempering and parallel implementation for uncertainty quantification

open access: yesAIChE Journal, EarlyView.
Abstract Bayesian estimation enables uncertainty quantification, but analytical implementation is often intractable. As an approximate approach, the Markov Chain Monte Carlo (MCMC) method is widely used, though it entails a high computational cost due to frequent evaluations of the likelihood function.
Tatsuki Maruchi   +2 more
wiley   +1 more source

Conformationally Driven Dual Fluorescence Properties of Higher Heteroacenes With Periodically Incorporated Boron Atoms

open access: yesAngewandte Chemie, EarlyView.
We herein report the synthesis of a new heteroheptacene derivative with periodically incorporated six boron atoms. This compound exhibits dual fluorescence attributed to two interconvertible conformers that result from a delicate balance between the extended π‐system and the steric demand of bulky aryl groups attached to the boron centers.
Takeshi Yokochi   +6 more
wiley   +2 more sources

Reaction kinetics model in liquid and solid phases and its parameterization for room temperature sodium–sulfur battery

open access: yesAIChE Journal, EarlyView.
Abstract A multipore, multiphase, continuum model is assembled for the first time for room temperature sodium–sulfur (RT Na–S) batteries, with Na+ ion transport and redox reactions in the liquid electrolyte phase and semisolid phase of precipitates softened by the electrolyte solvent, as guided by molecular dynamics simulations in this study ...
Hakeem A. Adeoye   +3 more
wiley   +1 more source

Limitations of Foundation Models in Energy Materials Simulations: A Case Study in Polyanion Sodium Cathode Materials

open access: yesAdvanced Intelligent Discovery, EarlyView.
Several simulation techniques are used to explore static and dynamic behavior in polyanion sodium cathode materials. The study reveals that universal machine learning interatomic potentials (MLIPs) struggle with system‐specific chemistry, emphasizing the need for tailored datasets.
Martin Hoffmann Petersen   +5 more
wiley   +1 more source

A choice architect’s guide to the (autonomous) galaxy: a systematic scoping review of nudge intrusiveness in food choices

open access: yesHumanities & Social Sciences Communications
In seeking to uphold consumer autonomy in the design and implementation of nudge interventions, choice architects must concern themselves with preserving both the availability of options made to consumers (freedom of choice), and the capacity of ...
Dominic Lemken   +2 more
doaj   +1 more source

Composition‐Aware Cross‐Sectional Integration for Spatial Transcriptomics

open access: yesAdvanced Intelligent Discovery, EarlyView.
Multi‐section spatial transcriptomics demands coherent cell‐type deconvolution, domain detection, and batch correction, yet existing pipelines treat these tasks separately. FUSION unifies them within a composition‐aware latent framework, modeling reads as cell‐type–specific topics and clustering in embedding space.
Qishi Dong   +5 more
wiley   +1 more source

Bayesian Optimisation for the Experimental Sciences: A Practical Guide to Data‐Efficient Optimisation of Laboratory Workflows

open access: yesAdvanced Intelligent Systems, EarlyView.
This study provides an introduction to Bayesian optimisation targeted for experimentalists. It explains core concepts, surrogate modelling, and acquisition strategies, and addresses common real‐world challenges such as noise, constraints, mixed variables, scalability, and automation.
Chuan He   +2 more
wiley   +1 more source

Review of "Nudge: Improving Decisions About Health, Wealth, and Happiness" [PDF]

open access: yes
Review of the book "Nudge: Improving Decisions About Health, Wealth, and Happiness" by Richard H.
Gail Mitchell Hoyt
core  

Artificial Intelligence for Multiscale Modeling in Solid‐State Physics and Chemistry: A Comprehensive Review

open access: yesAdvanced Intelligent Systems, EarlyView.
This review explores the transformative impact of artificial intelligence on multiscale modeling in materials research. It highlights advancements such as machine learning force fields and graph neural networks, which enhance predictive capabilities while reducing computational costs in various applications.
Artem Maevskiy   +2 more
wiley   +1 more source

How does the Kids SIPsmartER program impact the sugar‐sweetened beverage intake of students: An investigation beyond total treatment effect in randomized controlled trial

open access: yesAmerican Journal of Agricultural Economics, EarlyView.
Abstract This study develops and empirically estimates a structural framework to decompose the causal pathways of multilevel behavioral interventions targeting adolescent health behaviors. We apply this framework to the Kids SIPsmartER (KSS) program, a 6‐month, school‐based intervention evaluated through a clustered randomized controlled trial in rural
Naveen Abedin   +5 more
wiley   +1 more source

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