Results 151 to 160 of about 783,181 (348)
Polarization Dynamics in Ferroelectrics: Insights Enabled by Machine Learning Molecular Dynamics
Advanced 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
Covering Bridgeless Claw-Free Cubic Graphs with Perfect Matchings [PDF]
Huaibin Zhou, Xiumei Wang
openalex +1 more source
A Generative Neuro‐Symbolic AI for Protein Sequence Design
Advanced 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
A Quantum Scaling Algorithm for Maximum-Weight Perfect Matching in General Graphs [PDF]
Kourosh Mirsohi +2 more
openalex +1 more source
A Unifying Thermodynamic Model for Phase Separation and Aging of Biopolymers
Advanced Science, EarlyView.Phase separation and aging of intrinsically disordered proteins are placed in a unifying framework. A thermodynamically consistent time‐dependent version of associating‐polymer theory shows how the processes are intricately coupled. Assuming aging to occur through interacting sites resulting from reversible conformational transitions, the model ...
Jasper J. Michels +2 more
wiley +1 more source
Quantum State Routing and Perfect State Transfer on Signed Graphs under Environmental Noise [PDF]
Nur Mohammad Sanfui, Supriyo Dutta
openalex +1 more source
Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction
Advanced Science, EarlyView.Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen +5 more
wiley +1 more source
Dominated Coloring of Some Classes of Perfect and Unicyclic Graphs [PDF]
Sneha R, J. Geetha, K. Somasundaram
openalex +1 more source
Advanced Science, EarlyView.Computational and structure‐guided arginine scanning rewires the DNA‐binding interface of APE1 to create APE1‐Evo, a hyperactive yet specific AP endonuclease. Integrated into the NAPTUNE‐V2.0 cascade, APE1‐Evo enables amplification‐free, multiplex viral RNA sensing for dengue virus and influenza A/B, highlighting a general strategy for engineering ...
Junlan Wang +20 more
wiley +1 more source
Advanced Science, EarlyView.A latent diffusion‐based framework is proposed for designing functionally graded metamaterials with perfect connectivity. By integrating vector‐quantized latent representations with mechanistic guidance, the framework enables accurate inverse design toward target elastic properties.
Jongbin Yu, Dosung Lee, Namjung Kim
wiley +1 more source