Results 141 to 150 of about 2,756,008 (278)

Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion

Advanced Intelligent Discovery, EarlyView.
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia, Christian Mark Pelicano   +1 more
wiley   +1 more source

Machine Learning‐Assisted Second‐Order Perturbation Theory for Chemical Potential Correction Toward Hubbard U Determination

Advanced Intelligent Discovery, EarlyView.
In this work, the Doubao large language model (LLM) is involved in the formula derivation processes for Hubbard U determination regarding the second‐order perturbations of the chemical potential. The core ML tool is optimized for physical domain knowledge, which is not limited to parameter prediction but rather serves as an interactive physical theory ...
Mingzi Sun, Tong Wu, Baian Chen, Zikang Li, Qiuyang Lu, Lu Lu, Hon Ho Wong, Cheuk Hei Chan, Bolong Huang   +8 more
wiley   +1 more source

Multimodal Learning with Rashomon Analysis for Battery Discharge Capacity Prediction

Advanced Intelligent Discovery, EarlyView.
Multimodal fusion integrates composition, crystal‐structure, and radial‐distribution descriptors to predict battery discharge capacity. Rashomon analysis across near‐optimal models reveals that explanatory variation is structured rather than arbitrary, separating stable mechanistic signals from model‐contingent attributions and providing a more ...
Jue Gong, Lejia Wang, Tianqing Zhu, Keith Butler, Sichao Li   +4 more
wiley   +1 more source

Accelerating Materials Discovery: A Review of Machine Learning in X‐Ray Absorption Spectroscopy

Advanced Intelligent Systems, EarlyView.
This review systematically details how machine learning transforms X‐ray absorption spectroscopy (XAS) analysis. It covers advanced deep learning architectures for structure‐spectra mapping and inverse tasks, while discussing key challenges like the simulation‐to‐reality gap.
Melaku Lake Tegegne, Haodong Yao, Liyuan Wu, Yihe Pang, Fazhi Qi, Lina Zhao   +5 more
wiley   +1 more source

Unexpectedly Strong Electrostatic Screening in Nano‐Ion Solutions

Angewandte Chemie International Edition, EarlyView.
Colloidal probe AFM measurements reveal unexpectedly strong electrostatic screening in aqueous solutions of the polyoxometalates phosphotungstate [PW12O40]3−${[{\rm PW}_{12}{\rm O}_{40}]}^{3-}$ and silicotungstate [SiW12O40]4−$[{\rm SiW}_{12}{\rm O}_{40}]^{4-}$.
Thomas Tilger, Esther Ohnesorge, Hayden Robertson, Michael Ludwig, Michalis Tsintsaris, Regine von Klitzing   +5 more
wiley   +1 more source

Understanding the Aqueous Self‐Assembly of Raw Sophorolipid Mixtures Using a Statistical Approach Applied to Synchrotron Small Angle X‐Ray Scattering (SAXS): A Focus on pH, Dilution, Aging, and the Underestimated Role of Residual Fatty Acids

Journal of the American Oil Chemists' Society, EarlyView.
The statistical analysis of SAXS modelling data allows to identify the critical physicochemical parameters that have an impact on the phase behavior of crude sophorolipid batches. ABSTRACT The aqueous self‐assembly of raw sophorolipid mixtures has been studied by small angle x‐ray scattering (SAXS) to understand the impact of the composition ...
Maia Ouret‐Campagnet, Sélène Chappuis, Jean‐Christophe Castaing, Petra Pernot, François Ribot, Niki Baccile   +5 more
wiley   +1 more source

Physical Properties of Transition Metal Hydride Superconductors Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) by First‐Principles Calculations

Advanced Physics Research, EarlyView.
The electronic band structure determines all the charge transport properties of crystalline solids. It also controls the optical response of the material. Bonding characters are strongly influenced by the band structure. The band structures of Mg2TmH6 (Tm = Rh, Pd, Ir, Pt) compounds shown above confirm their metallic nature.
Md Ashraful Alam, Md Abdul Hadi Shah, F. Parvin, S. H. Naqib   +3 more
wiley   +1 more source

Multiscale damage evolution and chemo-mechanical constitutive modeling of acid-corroded sandstone. [PDF]

iScience
Hao L, Yifan Z, Qiang W, Yifan C, Donghui Y.   +4 more
europepmc   +1 more source

Structure‐Function Tailoring of Plasmonic Nanomaterials for Thin‐Film Photovoltaics

Carbon Energy, EarlyView.
This review discusses the mechanisms and recent advancements of plasmonics in achieving effective light management to enhance the performance of thin‐film solar cells. It highlights applications in high‐performance perovskite solar cells and future‐oriented tandem solar cells.
Sen Jiang, Wenhan Yang, Annan Zhu, Yuexin Lin, Zhaohui Xie, Ran Chen, Wenjing Zhu, Jin Liu, Yingjie Zhu, Wenye Jiang, Zhiyuan Gu, Kaiyang Wang, Shengchun Yang, Nan Zhang, Chao Liang   +14 more
wiley   +1 more source

Stress distribution and bone deformation around narrow-diameter implants at different placement depths and in different bone densities. [PDF]

Braz Oral Res
Barbosa FT, Vargas-Moreno VF, Marcello-Machado RM, Pimentel SP, Corrêa MG, Monteiro MF, Cirano FR, Caldas RA, Casati MZ.   +8 more
europepmc   +1 more source