Excellent Thermoelectric Performance Realized in SnSe Materials via Chemical Bond Tailoring Using GeTe as Molecule Scissors. [PDF]
Adv Sci (Weinh)Yang X +8 more
europepmc +1 more source
Advanced Engineering Materials, EarlyView.We develop a data‐driven method to derive the mathematical expressions of the Flory–Huggins interaction parameter χ for the swelling behavior of temperature–responsive hydrogels. Starting from initial assumptions of χ, our workflow combines Bayesian optimization, Flory–Rehner theory, and symbolic regression to generate candidate χ expressions.
Yawen Wang +2 more
wiley +1 more source
Computational Repurposing of FDA-Approved Drugs as Candidate MMP2 Inhibitors with Putative MMP3 Cross-Activity. [PDF]
Int J Mol SciZekri S +6 more
europepmc +1 more source
The PRIMA Thesaurus for Materials Science and Engineering
Advanced Engineering Materials, EarlyView.The PRIMA Thesaurus is a structured vocabulary designed to improve how materials science data is described and shared. Developed with input from multiple experts, it enables clear documentation of research workflows, data exchange, and reuse across platforms.
Rossella Aversa +8 more
wiley +1 more source
Evaluation of the Sustainability of Marine Resources in the Reef Areas of Furong Island Marine Ranching Based on the Ecopath Model. [PDF]
Biology (Basel)Tong X +7 more
europepmc +1 more source
A Lightweight Procedural Layer for Hybrid Experimental–Computational Workflows in Materials Science
Advanced Engineering Materials, EarlyView.We unveil a prototype hybrid‐workflow framework that fuses automatedcomputation with hands‐on experiments. Built atop pyiron, a lightweight, parameterized layer translates procedure descriptions into executable manual steps, syncing instrument settings, human interventions, and data capture in real‐time today.
Steffen Brinckmann +8 more
wiley +1 more source
Automated Active Space Selection with CASCI Dipole Moments. [PDF]
J Chem Theory ComputKaufold BW, Dong SS.
europepmc +1 more source
PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science
Advanced Engineering Materials, EarlyView.Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley +1 more source
Circular-economy residual-value assessment of retired lithium-ion batteries via degradation prediction and game-theoretic subsidies. [PDF]
iScienceLan G, Chen Y, Yao D, Wang J.
europepmc +1 more source
Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying
Advanced Engineering Materials, EarlyView.An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara +8 more
wiley +1 more source