Large Language Model in Materials Science: Roles, Challenges, and Strategic Outlook
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 +4 more
wiley +1 more source
Physicochemical and structural properties of novel cornmeal, pea protein isolate and wheat gluten meat analogues prepared by high moisture extrusion. [PDF]
Yu X +9 more
europepmc +1 more source
Data‐Guided Photocatalysis: Supervised Machine Learning in Water Splitting and CO2 Conversion
This review highlights recent advances in supervised machine learning (ML) for photocatalysis, emphasizing methods to optimize photocatalyst properties and design materials for solar‐driven water splitting and CO2 reduction. Key applications, challenges, and future directions are discussed, offering a practical framework for integrating ML into the ...
Paul Rossener Regonia +1 more
wiley +1 more source
Plant-Based Meat Analogues: Exploring Proteins, Fibers and Polyphenolic Compounds as Functional Ingredients for Future Food Solutions. [PDF]
da Silva VT +3 more
europepmc +1 more source
A low‐cost, self‐driving laboratory is developed to democratize autonomous materials discovery. Using this "frugal twin" hardware architecture with Bayesian optimization, the platform rapidly converges to target lower critical solution temperature (LCST) values while self‐correcting from off‐target experiments, demonstrating an accessible route to data‐
Guoyue Xu, Renzheng Zhang, Tengfei Luo
wiley +1 more source
Nutrition classification schemes for plant-based meat analogues: Drivers to assess nutritional quality and identity profile. [PDF]
Locatelli NT +6 more
europepmc +1 more source
The authors evaluated six machine‐learned interatomic potentials for simulating threshold displacement energies and tritium diffusion in LiAlO2 essential for tritium production. Trained on the same density functional theory data and benchmarked against traditional models for accuracy, stability, displacement energies, and cost, Moment Tensor Potential ...
Ankit Roy +8 more
wiley +1 more source
Improve the fiber structure and texture properties of plant-based meat analogues by adjusting the ratio of soy protein isolate (SPI) to wheat gluten (WG). [PDF]
Jiang L +7 more
europepmc +1 more source
A machine learning method, opt‐GPRNN, is presented that combines the advantages of neural networks and kernel regressions. It is based on additive GPR in optimized redundant coordinates and allows building a representation of the target with a small number of terms while avoiding overfitting when the number of terms is larger than optimal.
Sergei Manzhos, Manabu Ihara
wiley +1 more source

