Results 121 to 130 of about 12,689 (247)

How Advanced Artificial Intelligence Technologies Shape Drug–Drug and Drug–Target Interaction Modeling

open access: yesAdvanced Science, EarlyView.
This review explores the convergence of artificial intelligence technologies in modeling drug–drug and drug–target interactions. By evaluating advanced feature engineering, architectural innovations, and learning paradigms reveals shared evolutionary trends and critical challenges, such as cold‐start settings and shortcut learning.
Xin Sun, Tong Wang
wiley   +1 more source

Dislocation‐Mediated Lattice Distortion and Griffiths Phase Behavior in Melt‐Spun Ni2MnSb Ribbons

open access: yesAdvanced Science, EarlyView.
This figure illustrates how melt‐spinning introduces dislocations into Ni2MnSb Heusler alloys. TEM images reveal local lattice distortions and associated strain fields surrounding dislocations at a representative wheel speed. As wheel speed increases, these distortions promote the formation of ferromagnetic clusters within a paramagnetic matrix ...
Kun Wang   +11 more
wiley   +1 more source

Tailoring K+ Dosage in K+/Zn2+ Mixed Electrolytes via Lattice Expansion Regulation of Zinc Hexacyanoferrate for High‐performance Zinc Ion Batteries

open access: yesAdvanced Science, EarlyView.
The study proposes a fitting curve as a reference to quantify the optimal K+ ratio in K+/Zn2+ mixed electrolyte, thus achieving stable and high‐capacity aqueous zinc ion batteries at each current density. ABSTRACT Incorporating K+ into Zn‐based electrolytes can enhance the performance of aqueous zinc ion batteries, while the lack of a clear rule for ...
Yewei Li   +7 more
wiley   +1 more source

Entropy Decoding the Fundamental Law of Phase Competition in Glass Formation

open access: yesAdvanced Science, EarlyView.
We validate the integration of intermetallic and eutectic phases as initial phases for composition design. The phase competition mechanism in glass formation is quantitatively clarified based on the melting entropy of competing phases. Glass‐forming ability is modulated by tuning phase competition via the melting entropy of initial phases.
Benke Huo   +7 more
wiley   +1 more source

Large Language Model‐Informed Dual‐Track AI Framework for the Synergistic Design of Crack‐Free and High‐Strength Superalloys

open access: yesAdvanced Science, EarlyView.
This paper illustrates a knowledge‐augmented dual‐track AI framework for advanced superalloy design. First, Large Language Models translate metallurgical heuristics into explicit rules to rapidly prune a vast compositional search space. Subsequently, LLM‐distilled priors safely guide a reinforcement learning agent during autonomous process optimization,
Jian Yao   +9 more
wiley   +1 more source

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

Precision is not limited by the second law of thermodynamics. [PDF]

open access: yesNat Phys
Meier F   +6 more
europepmc   +1 more source

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