Advanced Materials, EarlyView.ABSTRACT Accurately knowing the frontier orbital energies of the structurally disordered small‐molecule organic semiconductors that are used in optoelectronic devices such as organic light‐emitting diodes is required to rationally improve their performance. Here, we show that these energies can be deduced with a large accuracy from the peak energies of
Christian B. McDonald +7 more
wiley +1 more source
Mechanistically Interpretable Artificial Intelligence for Designing Oxygen Electrocatalysts
Advanced Materials, EarlyView.Mechanistically interpretable artificial intelligence screens nearly seven million perovskite compositions and identifies key descriptors—d‐p hybridization and densification resistance—that govern oxygen electrocatalysis. The discovered BaCo0.8Nb0.1Zr0.1O3‐δ achieves a record 2.68 W cm−2 peak power density at 600°C with over 500 h of durable operation ...
Xueyu Hu +15 more
wiley +1 more source
ArmourTraits: A comparative dataset on the ecological and evolutionary correlates of dermal armour in squamates. [PDF]
Data BriefBroeckhoven C, Minne B, Hui C.
europepmc +1 more source
De Novo Autogenic Engineered Living Functional Materials
Advanced Materials, EarlyView.A versatile platform for de novo autogenic engineered living materials is presented, leveraging protein mining, computational modeling, and synthetic biology. By reprogramming the Escherichia coli curli machinery with β‐solenoid proteins from non‐model bacteria, macroscopic biomaterials with enhanced mechanical properties, UV‐C irradiation protection ...
Hoda M. Hammad +9 more
wiley +1 more source
Long-term visual localization in dynamic benthic environments: the SEALOC dataset, footprint-based ground truth, and visual place recognition benchmark. [PDF]
Front Robot AILarsen MK, Pizarro O.
europepmc +1 more source
Advanced Materials, EarlyView.Sub‐stoichiometric amounts of Na+ or K+ enhance defect healing during Silicalite‐1 (MFI) and TS‐1 calcination by promoting Si–O–Si annealing and healing framework vacancies. The resulting defect‐free zeolites are more hydrophobic and show improved butanol/water separation and improved activity and selectivity in the epoxidation of 1‐hexene, offering a ...
Christos Kanteler +14 more
wiley +1 more source
Leveraging remote sensing and crowd-sourced biodiversity data for enhanced plant functional trait mapping. [PDF]
Nat CommunMoreno-Martínez Á +19 more
europepmc +1 more source
Data‐Driven Materials Science for Energy‐Sustainable Applications
Advanced Materials, EarlyView.Data‐driven approaches powered by artificial intelligence are transforming materials discovery for energy sustainability. This review examines how auto‐generated high‐quality materials databases and domain‐specific language models accelerate research in photovoltaics, thermoelectrics, batteries and magnetic materials. Applications involve extraction of
Jacqueline M. Cole
wiley +1 more source
Impact of an Updated Climate Database on Model Performance and Niche Variability in Species Distribution Modeling. [PDF]
Ecol EvolSong JW, Yoon S, Jung S, Lee WH.
europepmc +1 more source
Closed‐Loop Solid‐State Synthesis Planning for Materials Discovery With Large Language Models
Advanced Materials, EarlyView.Leveraging literature data, we build a large‐language‐model‐driven workflow that extracts synthesis steps from 4407 papers, retrieves similar precedents, and generates candidate solid‐state synthesis recipes. The system benchmarks against ground‐truth and then operates in a closed loop with experiments to synthesize oxy‐selenide electrolyte materials ...
Dong Won Jeon +9 more
wiley +1 more source