An “Interface Reactor” strategy boosts simulation stability by 2–3 orders of magnitude, enabling stable 100 ns molecular dynamics of electrode‐electrolyte interfaces. Distinct SEI formation mechanisms are revealed: mixed co‐formation in carbonates versus surface‐energy‐controlled NaF crystallization in ethers. Metadynamics simulations further elucidate
Zhoulin Liu +6 more
wiley +1 more source
Toward a general understanding of thermal performance curves in biology. [PDF]
Pawar S, Kontopoulos DG.
europepmc +1 more source
CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction
CLRe uses a contrastive difficulty score to order pretrained seq2seq fine‐tuning for retrosynthesis. Reaction embeddings define the ranking score, and a cumulative easy‐to‐hard schedule expands from the easiest subset to the full training set while earlier examples remain active.
Tianhao Su +5 more
wiley +1 more source
Comparative analysis of the impact of chickenpox and herpes zoster vaccination in Belgium under two different exogenous boosting mechanisms. [PDF]
Wambua J +4 more
europepmc +1 more source
Data‐Driven Design of Self‐Adhesive Epidermal Electrodes and Sensors
This work presents self‐adhesive, stretchable epidermal electrodes and sensors developed through a data‐driven design framework that integrates artificial neural networks with genetic algorithms. By tailoring optimization objectives, either maximizing electrical conductivity and adhesion or enhancing piezoresistive sensitivity, the study enables the ...
Xuan Li +10 more
wiley +1 more source
From Predictors to Mechanisms: Interpretable Artificial Intelligence Evidence on Mathematics Achievement and Cognitive Learning Systems. [PDF]
Meng D, Wan ATK.
europepmc +1 more source
Performance Estimation and Ex Vivo Validation of Untethered Magnetic Robots in Soft Tissue
This study presents an empirical model that quantitatively predicts the step‐out frequency of screw‐type untethered magnetic robots (UMRs) in soft viscoelastic environments, including ex vivo brain tissue. By integrating key parameters into a dimensionless framework, the model enables estimation of robot performance across a range of biological ...
Leendert‐Jan W. Ligtenberg +19 more
wiley +1 more source
Complex systems science in the AI era: a pivotal paradigm for scientific research. [PDF]
Yang M, Zhao W.
europepmc +1 more source
Robust Stitching Interface and Deep Learning Empowered Hydrogel Human‐Machine Interface
A molecular design strategy is presented that exploits synergistic carboxylate anion–quaternary ammonium interactions to simultaneously strengthen the hydrogel–PET interface and the bulk hydrogel network. Integrated with deep learning signal processing, the stable hydrogel–PET interface enables consistent signal acquisition and reliable human‐machine ...
Hao Dong +11 more
wiley +1 more source
A universal framework for the quantum simulation of Yang-Mills theory. [PDF]
Halimeh JC +5 more
europepmc +1 more source

