Results 211 to 220 of about 90,344 (295)

Excitation Energy Transfer between Porphyrin Dyes on a Clay Surface: A Study Employing Multifidelity Machine Learning

open access: yesAdvanced Theory and Simulations, EarlyView.
Inspired by natural light‐harvesting systems, this study computationally investigates a synthetic antenna by arranging cationic free‐base porphyrin molecules on an anionic clay surface. Using a multiscale quantum mechanics/molecular mechanics (QM/MM) approach combined with a multifidelity machine learning method, excitation energies are predicted ...
Dongyu Lyu   +7 more
wiley   +1 more source

Toward a Universal Czochralski Growth Model Leveraging Data‐Driven Techniques

open access: yesAdvanced Theory and Simulations, EarlyView.
This data‐driven study investigates Czochralski growth using Decision Trees, Symbolic Regression, ANN, and SHAP to assess the impact of 21 process and design parameters on crystal quality. Trained on 632 CFD simulation datasets across four crystalline materials, it demonstrates the feasibility of a universal Cz model applicable to various ...
Natasha Dropka   +4 more
wiley   +1 more source

Excessive DNA Double‐Strand Breaks–Associated 3D Genome Reorganization Contributes to Neural Tube Defects with Folate Deficiency

open access: yesAdvanced Science, EarlyView.
Neural tube defects (NTDs) are among the most common congenital malformations. However, the underlying etiology and mechanism remain elusive. Here, the role of DNA double‐strand breaks (DSBs) in 3D genome organization within the NTDs with folate deficiency is reported.
Ting Zhang   +12 more
wiley   +1 more source

Perceptual Bias in Motion Discrimination is Related to Asymmetric Interhemispheric Alpha Traveling Waves

open access: yesAdvanced Science, EarlyView.
The study shows an asymmetric connectivity between visual motion areas, with alpha travelling waves favouring left‐to‐right (thick red arrow) over right‐to‐left (thin blue arrow) communication. This asymmetry predicts a bias toward reporting leftward (higher number of red dots) over rightward (lower number of blue dots) motion direction, regardless of ...
Luca Tarasi   +2 more
wiley   +1 more source

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