Tohoku University researchers propose a framework called Physics-Grounded Materials AI that embeds thermodynamic, kinetic, ...

Following the success of large language models, the concept of large materials models as deep-learning computational models for materials design has attracted great interest. Nevertheless, the task of ...

A method to interpret artificial intelligence (AI) models used in materials discovery by analyzing their learned features has been developed by researchers from Japan. The method extracts key features ...

This Collection supports and amplifies research related to SDG 9 - Industry, Innovation & Infrastructure. Discovering new materials with customizable and optimized properties, driven either by ...

Material properties such as sound insulation, resistance to extreme heat and thermal expansion originate from how the zillions of microscopic building blocks (nuclei and electrons) interact at ...

A new review in the Journal of Materials Science maps how machine learning, from graph neural networks to large language models, is accelerating the design of high-entropy alloy catalysts across vast ...

A general-purpose LLM is fine-tuned with inorganic material knowledge datasets and used to predict the synthesizability and precursor compounds of hypothetical inorganic materials. Seoul National ...