Results 71 to 80 of about 72,193 (215)

Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook

Advanced Intelligent Discovery, EarlyView.
Large language models (LLMs) are reshaping materials science. Acting as Oracle, Surrogate, Quant, and Arbiter, they now extract knowledge, predict properties, gauge risk, and steer decisions within a traceable loop. Overcoming data heterogeneity, hallucinations, and poor interpretability demands domain‐adapted models, cross‐modal data standards, and ...
Jinglan Zhang, Xinyi Chen, Xu Ye, Yulin Yang, Bin Ai   +4 more
wiley   +1 more source

Interpretability and Representability of Commutative Algebra, Algebraic Topology, and Topological Spectral Theory for Real‐World Data

Advanced Intelligent Discovery, EarlyView.
This article investigates how persistent homology, persistent Laplacians, and persistent commutative algebra reveal complementary geometric, topological, and algebraic invariants or signatures of real‐world data. By analyzing shapes, synthetic complexes, fullerenes, and biomolecules, the article shows how these mathematical frameworks enhance ...
Yiming Ren, Guo‐Wei Wei
wiley   +1 more source

Explaining the Origin of Negative Poisson's Ratio in Amorphous Networks With Machine Learning

Advanced Intelligent Discovery, EarlyView.
This review summarizes how machine learning (ML) breaks the “vicious cycle” in designing auxetic amorphous networks. By transitioning from traditional “black‐box” optimization to an interpretable “AI‐Physics” closed‐loop paradigm, ML is shown to not only discover highly optimized structures—such as all‐convex polygon networks—but also unveil hidden ...
Shengyu Lu, Xiangying Shen
wiley   +1 more source

Harnessing Machine Learning to Understand and Design Disordered Solids

Advanced Intelligent Discovery, EarlyView.
This review maps the dynamic evolution of machine learning in disordered solids, from structural representations to generative modeling. It explores how deep learning and model explainability transform property prediction into profound physical insight.
Muchen Wang, Yue Fan
wiley   +1 more source

The Interoperability Challenge in DFT Workflows Across Implementations

Advanced Intelligent Discovery, EarlyView.
Interoperability and cross‐validation remain major challenges in the computational materials science. In this work, we introduce a common input/output standard that enables internal translation across multiple workflow managers—AiiDA, PerQueue, Pipeline Pilot, and SimStack—while producing results in a unified schema.
Simon K. Steensen, Tushar Singh Thakur, Manuel Dillenz, Johan M. Carlsson, Celso R. C. Rêgo, Eibar Flores, Hamidreza Hajiyani, Felix Hanke, Juan María García Lastra, Wolfgang Wenzel, Nicola Marzari, Tejs Vegge, Giovanni Pizzi, Ivano E. Castelli   +13 more
wiley   +1 more source

Antioxidant Activity and Oxidative Stability of Flaxseed and Its Processed Products: A Review

Sci
Flaxseed (Linum usitatissimum) is one of the most important crops worldwide due to its nutritional and functional properties. Given the diversity of flax and its processed products, this review aimed to systematize and analyze data on their antioxidant ...
Yuliya Frolova, Roman Sobolev, Alla Kochetkova   +2 more
doaj   +1 more source

AI‐Guided Co‐Optimization of Advanced Field‐Effect Transistors: Bridging Material, Device, and Fabrication Design

Advanced Intelligent Discovery, EarlyView.
This article outlines how artificial intelligence could reshape the design of next‐generation transistors as traditional scaling reaches its limits. It discusses emerging roles of machine learning across materials selection, device modeling, and fabrication processes, and highlights hierarchical reinforcement learning as a promising framework for ...
Shoubhanik Nath, Shauryaraj K. Jilkar, Aditya Udgaonkar, Yu (Joe) Lu, Ali Mesbah   +4 more
wiley   +1 more source

Histological Study of Peanut Hull: Initial Barrier Against Fungal Invasion?

Plants
Research on the cataloging of microstructures and chemical compound localization in peanut hulls in relation to fungal tolerance remains limited. The hull (pericarp) is the first physical interface with the soil environment and may contribute to defense ...
Birat Sapkota, Nirmal Joshee
doaj   +1 more source

A Critical Assessment of Bonding Descriptors for Predicting Materials Properties

Advanced Intelligent Discovery, EarlyView.
The impact of new bonding descriptors in machine learning models for predicting material properties is assessed. Improvements are validated using significance tests, and new, intuitive descriptors for screening lattice thermal conductivity and projected force constants are introduced.
Aakash Ashok Naik, Nidal Dhamrait, Katharina Ueltzen, Christina Ertural, Philipp Benner, Gian‐Marco Rignanese, Janine George   +6 more
wiley   +1 more source

The Role of Shape Commensurability in Chirality Transfer: Gold Nanoshape Solutes in a Discotic Nematic Liquid Crystal Solvent

Angewandte Chemie, EarlyView.
We report on a suitable approach to predict the chirality “strength” and efficacy of chirality transfer from chiral nanoshape solutes to an achiral discotic nematic (ND) liquid crystal solvent. Highly efficacious chirality transfer based on shape commensurability between nanoshape solute (in the form of gold nanodiscs, GNDs) and a ND solvent was ...
Gourab Acharjee, Lara Querciagrossa, Grace A. R. Rohaley, Nicholas M. Kamuti, Ashwathanarayana Gowda, Suraj Kumar Pathak, Asmita Shah, Kun Zhang, Jianfang Wang, Claudio Zannoni, Torsten Hegmann   +10 more
wiley   +2 more sources