Results 151 to 160 of about 1,797,896 (242)

Efficient Screening of Organic Singlet Fission Molecules Using Graph Neural Networks

open access: yesAdvanced Science, EarlyView.
A high‐throughput screening framework based on graph neural networks (GNNs) and multi‐level validation facilitates the identification of singlet fission (SF) candidates. By efficiently predicting excitation energies across 20 million molecules, and integrating TDDFT calculations, synthetic accessibility assessments, and GW+BSE calculations, this ...
Li Fu   +5 more
wiley   +1 more source

Functional Disorder at the Neural Interface: How Disordered Nanostructures Promote Proper Growth and Differentiation in In Vitro Neural Cultures

open access: yesAdvanced Science, EarlyView.
This work provides a practical guide for neuroengineers to design advanced neural interfaces, embracing and tailoring the concept of functional disorder. By bridging 2D and 3D in vitro models, this work highlights how non‐periodic, spatially heterogeneous, multiscale nanotopography can enable more physiologically relevant platforms for studying neural ...
F. Maita   +4 more
wiley   +1 more source

Flexoelectricity in Photoconversion: Fundamentals, Materials, and Outlooks

open access: yesAdvanced Science, EarlyView.
Mechanical bending of a flexible cantilever induces a strain gradient in the photoactive material. The resulting flexoelectric field couples with photovoltaic and photoconductive effects, modulating charge generation, separation, and collection. A comparative analysis of oxide perovskites, halide perovskites, and two‐dimensional materials is presented,
Xiang Huang, Feng Li, Rongkun Zheng
wiley   +1 more source

Construction of Sabatier Volcanoes for CO2 Hydrogenation to C1‐2 Oxygenates Using Data‐Efficient Machine Learning

open access: yesAdvanced Science, EarlyView.
A new data‐efficient framework combining DFT calculations, a neural network model, and automated graph analysis of catalytic reaction networks is proposed and applied to CO2 hydrogenation on transition metal nanoparticles. The analysis shows how efficient C2 oxygenate production requires a balance between CHx formation, C–C coupling, protonation, and ...
Mikhail V. Polynski, Sergey M. Kozlov
wiley   +1 more source

Learning Moisture‐Induced Damage From Vision: Diffusion Models for Real‐Time Monitoring of Additive Manufacturing Processes

open access: yesAdvanced Science, EarlyView.
We introduce a vision‐based real‐time monitoring system for additive manufacturing that detects subtle moisture‐induced degradation via a diffusion model‐based framework. The approach enables nondestructive assessment of moisture‐induced damage level and mechanical performance and establishes a practical route toward more intelligent, reliable, and ...
Jiyoung Jung   +4 more
wiley   +1 more source

Public health risk assessment of rodent-driven hantavirus spillover in Europe using a stochastic delay model. [PDF]

open access: yesFront Public Health
Raza A   +5 more
europepmc   +1 more source

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