Results 191 to 200 of about 6,745,331 (273)

Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics

open access: yesAdvanced Science, EarlyView.
Machine learning molecular dynamics is presented as a route to capture polarization switching, domain wall kinetics, topological polar textures, and polar mechanical coupling beyond the limits of conventional atomistic methods. This Perspective surveys recent progress and identifies key methodological directions, including long‐range electrostatics ...
Dongyu Bai   +3 more
wiley   +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

Phase‐Resolved Dual Control of Phenol Photodissociation at the Air–Water Interface From Structure‐Resolved Statistics

open access: yesAdvanced Science, EarlyView.
Faster phenol photolysis at the air–water interface arises from two cooperative factors: a more favorable initial microenvironment for solvent‐side electron stabilization, which lowers CI access, and a more labile hydrogen‐bond network, which more readily reorganizes to stabilize the dark‐state intermediate.
Qiang Yin   +8 more
wiley   +1 more source

A Generative Neuro‐Symbolic AI for Protein Sequence Design

open access: yesAdvanced Science, EarlyView.
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne   +12 more
wiley   +1 more source

Somatic Evolution of a Germline Antibody Expands its Breadth to Neutralize Early SARS‐CoV‐2 Omicron Variants

open access: yesAdvanced Science, EarlyView.
Engineering of the 148‐germline (148‐GL) antibody reveals a roadmap for overcoming SARS‐CoV‐2 viral escape. By introducing four specific somatic hypermutations, the resulting 148‐M4 variant restores potent neutralization against Omicron BA.1 and BA.4/5.
Huibin Lv   +14 more
wiley   +1 more source

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