Results 171 to 180 of about 4,743 (301)

Machine Learning Accelerated Non‐Adiabatic Molecular Dynamics Elucidates Local Polarization Effects on Non‐radiative Recombination in Halide Perovskites

open access: yesAdvanced Science, EarlyView.
This work proposes and constructs the Hefei‐NAMD‐S framework based on machine learning stacked models to investigate the relationship between local polarization and non‐radiative recombination. The results indicate that, compared with A‐site local polarization, B‐site local polarization shows a more evident association with the non‐radiative ...
Bing Yang   +13 more
wiley   +1 more source

A narrow-stencil framework for convergent numerical approximations of fully nonlinear second order PDEs

open access: yesElectronic Journal of Differential Equations, 2022
Xiaobing Feng, Thomas Lewis, Kellie Ward
doaj  

ProSiteHunter: A Unified Framework for Sequence‐Based Prediction of Protein‐Nucleic Acid and Protein‐Protein Binding Sites

open access: yesAdvanced Science, EarlyView.
This study proposed a unified sequence‐based framework for protein binding site prediction, which adopted a tri‐track semantic multi‐source feature fusion strategy to effectively capture diverse macromolecular interaction sites and further improved the accuracy of antibody‐antigen interaction prediction.
Dongliang Hou   +8 more
wiley   +1 more source

Unusual Thermally Induced Blueshift and Emission Amplification of Mn2+ Ions Enable Filter‐Free Luminescent Thermal Imaging

open access: yesAdvanced Science, EarlyView.
ABSTRACT The shift from point‐based thermal sensing to filter‐free thermal imaging requires luminescent thermometers that exhibit pronounced and thermally driven spectral changes within spectral regions matching the sensitivity profiles of the red, green and blue (RGB) channels of a digital camera.
Y. Abe   +3 more
wiley   +1 more source

Sparse Pd–Te Covalent Bridges Drive Anomalous Bulk‐to‐Monolayer Electronic and Magnetic Evolution in FePd2Te2

open access: yesAdvanced Science, EarlyView.
Bulk FePd2Te2 contains sparse interlayer Pd–Te covalent bonds, giving it unexpectedly low exfoliation energy and enabling van der Waals‐like exfoliation. Cleaving these bonds during exfoliation makes the monolayer magnetically distinct from the bulk: magnetic anisotropy energy increases, and the strain‐response coefficient of the magnetic moment ...
Huaiyuan Zhao   +7 more
wiley   +1 more source

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