Results 151 to 160 of about 182,801 (272)

Integrating Machine Learning With Constant‐Potential Simulation to Unravel Charge‐Transfer Mechanisms in Electrochemical Nitrogen Fixation

Advanced Science, EarlyView.
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue, Dushuo Feng, Yuefei Zhang, Yang Zhang, Yalong Jiao, Aijun Du, Guoping Gao   +6 more
wiley   +1 more source

Polynomial-time quantum Gibbs sampling for the weak and strong coupling regime of the Fermi-Hubbard model at any temperature. [PDF]

Nat Commun
Šmíd Š, Meister R, Berta M, Bondesan R.   +3 more
europepmc   +1 more source

Identification of hub genes associated with postmenopausal osteoporosis by Gibbs sampling method. [PDF]

Exp Ther Med, 2019
Zhang YP, Ao S, Liu Y, Wang Y, Jia YM, Zhang H, Leng H.   +6 more
europepmc   +1 more source

Harnessing Phase Separation for the Development of High‐Performance Hydrogels

Advanced Science, EarlyView.
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao, Yiming Ma, Baihao Shao, Molly M. Stevens   +3 more
wiley   +1 more source

Bayesian MCMC with Gibbs sampling for saturation flow rate estimation in heterogeneous traffic at pretimed signalized intersections. [PDF]

MethodsX
Lulusi L, Sugiarto S, Saleh SM, Isya M, Rusdi M, Rahma R.   +5 more
europepmc   +1 more source

Hamiltonian Monte Carlo with Constrained Molecular Dynamics as Gibbs Sampling. [PDF]

J Chem Theory Comput, 2017
Spiridon L, Minh DDL.
europepmc   +1 more source

FeCoNiCuPt High‐Entropy Alloy Boosts Photocatalytic Hydrogen Production on Protonated Graphitic Carbon Nitride

Advanced Science, EarlyView.
In this study, FeCoNiCuPt high‐entropy alloy particles (HEA) are loaded onto protonated g‐C3N4 nanosheets (HCN NSs) to construct HEA/HCN composites through an electrostatic self‐assembly method. Protonation treatment enriches the surface of g‐C3N4 nanosheets with abundant active sites and enhances their interfacial charge separation capability ...
Yunzhu Zang, Jiali Ren, Yanjun Xue, Jian Tian   +3 more
wiley   +1 more source

Modeling RNA duplex dynamics with Gibbs sampling enhances base-pair prediction accuracy and reveals structural activity profiles. [PDF]

NAR Genom Bioinform
Chasles S, Major F.
europepmc   +1 more source

Bayesian Inference for Mixed Model-Based Genome-Wide Analysis of Expression Quantitative Trait Loci by Gibbs Sampling. [PDF]

Front Genet, 2019
Lee C.
europepmc   +1 more source

Highly Efficient Extraction of 212 Pb/212Bi from the Decay Chain of 232Th‐Based on Anion Exchange in Bromide Medium

Advanced Science, EarlyView.
This work provides an effective strategy for selectively extracting 212Pb and 212Bi from the decay chain of 232Th as well as its mechanism illustration. Using the novel strategy, 2.07 MBq of 212Pb is successfully separated from 232Th and its daughters, which enables the supply of 212Pb/212Bi directly from the abundant natural thorium resource to be ...
Lifeng Chen, Wannian Feng, Yuezhou Wei, Xuexiang He, Shaoying Wang, Zhongyuan Zhou, Qiang Wu, Ningchao Zheng, Xiangbiao Yin, Wenlong Li, Lingling Su, Shunyan Ning   +11 more
wiley   +1 more source