The Influence of SPI 7S and 11S on the Stability of <i>Lonicera caerulea</i> L. Anthocyanins and Interaction Mechanism with C3G. [PDF]
Zhou Y +5 more
europepmc +1 more source
Artificial Intelligence for Fluorite Ferroelectric Materials: From Discovery to Optimization
Artificial intelligence accelerates the discovery and optimization of HfO2‐based fluorite ferroelectrics by linking synthesis, structure, properties, and device performance. Machine learning, deep‐learning analysis, and AI‐driven atomistic modeling enable predictive design, dopant screening, and closed‐loop optimization toward next‐generation ...
Faizan Ali +3 more
wiley +1 more source
Computational Optimization of CRISPR-Cas13a sgRNAs Targeting the SARS-CoV-2 Spike Gene for SHERLOCK-Based Diagnostics. [PDF]
Ahmadzadeh M +4 more
europepmc +1 more source
Sulfide‐Based Electrolytes for All‐Solid‐State Sodium Batteries
This review covers the structural features and synthesis strategies of sulfide‐based solid electrolytes, as well as critical challenges related to conductivity, interfacial and moisture stability, and scaling‐up for practical application in Sodium‐based All Solid‐State Batteries.
Han Yang +6 more
wiley +1 more source
In this work, we developed a phase‐stability predictor by combining machine learning and ab initio thermodynamics approaches, and identified the key factors determining the favorable phase for a given composition. Specifically, a lower TM ionic potential, higher Na content, and higher mixing entropy favor the O3 phase.
Liang‐Ting Wu +6 more
wiley +1 more source
Selective Copper Removal from an Fe-P-Cu Alloy Recovered by Pyrometallurgical Reduction of Spent LiFePO<sub>4</sub> Batteries via Sulfidation-Slag Refining. [PDF]
Yoon JS, Im AJ, Wang JP.
europepmc +1 more source
Smart Exploration of Perovskite Photovoltaics: From AI Driven Discovery to Autonomous Laboratories
In this review, we summarize the fundamentals of AI in automated materials science, and review AI applications in perovskite solar cells. Then, we sum up recent progress in AI‐guided manufacturing optimization, and highlight AI‐driven high‐throughput and autonomous laboratories.
Wenning Chen +4 more
wiley +1 more source
An Enhanced CAPE-OPEN-Based Digital Twin Platform Architecture for Chemical Processes. [PDF]
Zhao J, Zhao W, Sun X, Xia L, Xiang S.
europepmc +1 more source
Machine learning interatomic potentials bridge quantum accuracy and computational efficiency for materials discovery. Architectures from Gaussian process regression to equivariant graph neural networks, training strategies including active learning and foundation models, and applications in solid‐state electrolytes, batteries, electrocatalysts ...
In Kee Park +19 more
wiley +1 more source
High-fidelity database of supercritical homogeneous isotropic turbulence in the pseudo-boiling region. [PDF]
Martín D, Jofre L.
europepmc +1 more source

