Results 131 to 140 of about 499 (172)

Crossover operators for molecular graphs with an application to virtual drug screening. [PDF]

open access: yesJ Cheminform
Domschke N   +7 more
europepmc   +1 more source

An exciting Approach to Theoretical Spectroscopy

open access: yesAdvanced Science, EarlyView.
ABSTRACT Theoretical spectroscopy, and more generally, electronic‐structure theory, are powerful concepts for describing the complex many‐body interactions in materials. They cover methods from ground‐state properties to lattice excitations and light‐matter interaction, including time‐resolved variants.
Martí Raya‐Moreno   +29 more
wiley   +1 more source

Physics‐Informed Neural Network‐Enabled Forward Prediction and Inverse Design of Ring Origami

open access: yesAdvanced Science, EarlyView.
This work presents a KRT‐PINN framework that integrates Kirchhoff rod theory with physics‐informed neural networks for the forward prediction and inverse design of ring origami consisting of closed‐loop rods. The framework predicts stable states of segmented rings with prescribed natural‐curvature profiles and determines the natural‐curvature profiles ...
Luyuan Ning   +3 more
wiley   +1 more source

Action of the Euclidean versus projective group on an agent's internal space in curiosity driven exploration. [PDF]

open access: yesBiol Cybern
Sergeant-Perthuis G   +5 more
europepmc   +1 more source

A Versatile‐Designable Framework for Active and Programmable Shape‐Morphing Soft Matter Systems: From Inverse Design to Closed‐Loop Control

open access: yesAdvanced Science, EarlyView.
A versatile framework integrates addressable electrothermal actuation and strain‐constraint mechanisms to construct programmable shape‐morphing soft matter systems. By combining an analytical inverse design strategy for high‐fidelity 3D surface reconstruction with deep learning‐based closed‐loop control, this approach enables zero‐energy shape locking,
Kai Liu   +5 more
wiley   +1 more source

Many photonic design problems are sparse QCQPs. [PDF]

open access: yesSci Adv
Gertler S   +4 more
europepmc   +1 more source

Electrically Tunable Piezotronic Transistor by Coupling Interface Polar Symmetry and Strain Gradient

open access: yesAdvanced Science, EarlyView.
A macroscale tip‐induced strain gradient generates bulk piezo‐charges in GaN, enabling bias‐controlled shielding and selective Schottky barrier modulation. This strain‐gradient piezotronic transistor exhibits electrically switchable high‐ and low‐sensitivity states, providing ultrahigh strain sensitivity and wide tunability for adaptive mechanical ...
Gongwei Hu   +9 more
wiley   +1 more source

Mapping life's disparity and evolutionary constraints in a geometric complexity space. [PDF]

open access: yesSci Adv
Dera G   +6 more
europepmc   +1 more source

Deep Learning Network‐Tailored Microenvironment Matching of 4D Bioprinting Bioactive Scaffolds for Bone Regeneration

open access: yesAdvanced Science, EarlyView.
A DLN dataset was built to analyze MABS composition versus in vitro/in vivo osteogenesis and angiogenesis. An MLP neural network, taking BG morphological parameters as input, extracts bioactive features from these datasets. A rabbit tibial defect model then validates 4D‐printed MABS for adaptability and bone regeneration in critical defects.
Xiongjie Liang   +12 more
wiley   +1 more source

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