Results 111 to 120 of about 182,801 (272)

Diffusive Gibbs Sampling

open access: yes
The inadequate mixing of conventional Markov Chain Monte Carlo (MCMC) methods for multi-modal distributions presents a significant challenge in practical applications such as Bayesian inference and molecular dynamics. Addressing this, we propose Diffusive Gibbs Sampling (DiGS), an innovative family of sampling methods designed for effective sampling ...
Chen, Wenlin   +4 more
openaire   +2 more sources

Inert Catalytic Sites Unlocked by Micropollutants for Rapid Water Decontamination with Near‐Complete Chemical Utilization

open access: yesAdvanced Materials, EarlyView.
Micropollutants can act as molecular triggers that activate a newly designed and chemically inert Fenton‐like PKU‐24 catalyst for on‐demand singlet oxygen generation from peroxymonosulfate (PMS), enabling nearly complete peroxide utilization and selective micropollutant removal from complex real‐world wastewater.
Yu‐Hang Li   +7 more
wiley   +1 more source

An Introduction to the DA-T Gibbs Sampler for the Two-Parameter Logistic (2PL) Model and Beyond

open access: yesPsicológica, 2005
The DA-T Gibbs sampler is proposed by Maris and Maris (2002) as a Bayesian estimation method for a wide variety of Item Response Theory (IRT) models.
Gunter Maris, Timo M. Bechger
doaj  

Molecular‐Level Insights into Interfacial Adsorption Mechanisms of PFOA on Functional Dolomite Surfaces via AIMD and Spectroscopy

open access: yesAdvanced Materials Interfaces, EarlyView.
Perfluorooctanoic acid (PFOA), ab initio molecular dynamics (AIMD), density functional theory (DFT), Dolomite (DL), metal‐organic frameworks (MOFs), calcined modified dolomite (CDL), zero‐point of charge (PZC), metal‐organic frameworks (MOFs), Fourier transform infrared (FTIR), X‐ray diffraction (XRD), scanning electron microscopy (SEM ...
Yating Yang   +8 more
wiley   +1 more source

Herded Gibbs sampling

open access: yes, 2012
The Gibbs sampler is one of the most popular algorithms for inference in statistical models. In this thesis, we introduce a herding variant of this algorithm that is entirely deterministic. We demonstrate, with simple examples, that herded Gibbs exhibits better convergence behavior for approximating the marginal distributions than Gibbs sampling.
openaire   +1 more source

Photocatalytic Water Splitting on the Lunar Surface: Prospects for In Situ Resource Utilization

open access: yesAdvanced Materials Interfaces, EarlyView.
Water has been found in craters on the moon nearby locations which are illuminated >80% of the time. Photocatalysis uses energy from sunlight to drive chemical reactions such as water splitting to produce oxygen and hydrogen. It is a scalable technology that requires lighter equipment and utilizes resources available on the moon. ABSTRACT The discovery
Ranjani Kalyan   +6 more
wiley   +1 more source

Investigation of Structural, Mechanical and Electrochemical Properties of Temperature‐Dependent Dual AlN/TiAlN Coating Synthesized by CVD Process

open access: yesAdvanced Materials Interfaces, EarlyView.
This study investigates thermally CVD‐deposited AlN/TiAlN dual‐layer coatings over a Si substrate, focusing on the temperature‐dependent process‐structure relationship. Systematic characterization reveals that a dense AlN interlayer combined with an optimally deposited TiAlN top layer provides enhancement in mechanical strength, tribological stability,
Soham Das   +4 more
wiley   +1 more source

Electronic Structure Modulation Induced by Asymmetric Cu─Ni Centers in a π‐Conjugated Triazine MOF

open access: yesAdvanced Materials Interfaces, EarlyView.
A π‐conjugated H3TATB‐based asymmetric bimetallic CuNi‐MOF was developed as an efficient electrocatalyst for alkaline hydrogen evolution. Benefiting from synergistic Cu–Ni interactions, enhanced charge transfer, and stabilized active sites, CuNi‐MOF delivers superior HER performance with low overpotential, improved kinetics, and 24 h durability.
Alamgir   +7 more
wiley   +1 more source

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