Results 101 to 110 of about 113,020 (264)
Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design
A large language model (LLM) based pipeline is developed to automatically extract a comprehensive and accurate multicomponent alloy database from literature corpus. The extracted dataset is integrated with sustainability indicators to identify potential alloys that outperform existing industrial benchmark materials in terms of both performance and ...
Aravindan Kamatchi Sundaram +4 more
wiley +1 more source
Autonomous laboratories can now synthesize materials faster than experts can interpret the resulting diffraction data. A probabilistic framework combines refinement‐fit metrics with large language model‐derived chemical reasoning to rank competing phase interpretations and flag those unsuitable for autonomous use.
Olympia Dartsi +7 more
wiley +1 more source
A Generative Neuro‐Symbolic AI for Protein Sequence Design
We introduce EffieDes, a neuro‐symbolic framework coupling deep learning‐based fitness landscape parameterization with exact automated reasoning. Unlike greedy sampling, EffieDes identifies sequences that globally optimize fitness while satisfying intricate design constraints.
Marianne Defresne +12 more
wiley +1 more source
Probing Electrocatalyst Design for Product Selectivity in CO2 Reduction
Selective CO2 electroreduction is controlled by catalyst structure, dynamic surface reconstruction, adsorbate interactions, and reaction microenvironment. This review summarizes Cu‐ and non‐Cu‐based catalysts, single‐atom and molecular systems, degradation pathways, and operando/computational strategies for steering CO2RR toward hydrocarbons ...
Suvodeep Sen +5 more
wiley +1 more source
Entropy, Uncertainty, and the Depth of Implicit Knowledge on Musical Creativity: Computational Study of Improvisation in Melody and Rhythm. [PDF]
Daikoku T.
europepmc +1 more source
Computational simulations of tumor evolution are increasingly used to infer the rules underlying cancer growth, with the goal of one day recommending tailored treatments. Here we show that the properties of lung cancer sequencing data are best replicated by a model which assumes that cells compete both to proliferate and survive. ABSTRACT Computational
Helena Coggan +5 more
wiley +1 more source
Fluency Expresses Implicit Knowledge of Tonal Symmetry. [PDF]
Ling X, Li F, Qiao F, Guo X, Dienes Z.
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
Combining recently established two ground‐breaking concepts, the adoption of WCAs and the use of alkoxyalkylamine‐based solvents in electrolyte formulations for rechargeable magnesium metal batteries, has led to unexpectedly unsuccessful electrochemical Mg plating/stripping performance. Comprehensive experimental and computational analyses revealed the
Toshihiko Mandai +4 more
wiley +1 more source
Tasos ZEMBYLAS and Claudia DÜRR trace the emergence of prose texts. By analyzing three case studies of young writers, they map a central domain of artistic practice.
Stefan Fothe
doaj

