High-entropy nanoparticles have become a rapidly growing area of research in recent years.
Because of their multielemental compositions and unique high-entropy mixing states (ie …

Artificial intelligence (AI)-based methods continue to make inroads into accelerated
materials design and development. Here, we review AI-enabled advances made in the …

Novel functional materials enable fundamental breakthroughs across technological
applications from clean energy to information processing,,,,,,,,,–. From microchips to batteries …

Interatomic potentials (IAPs), which describe the potential energy surface of atoms, are a
fundamental input for atomistic simulations. However, existing IAPs are either fitted to narrow …

Lithium‐ion batteries (LIBs) are vital energy‐storage devices in modern society. However,
the performance and cost are still not satisfactory in terms of energy density, power density …

Heusler alloys, discovered serendipitously at the beginning of the twentieth century, have
emerged in the twenty-first century as exciting materials for numerous remarkable functional …

Catalyst discovery and optimization is key to solving many societal and energy challenges
including solar fuel synthesis, long-term energy storage, and renewable fertilizer production …

Artificial intelligence, especially machine learning (ML) and deep learning (DL) algorithms,
is becoming an important tool in the fields of materials and mechanical engineering …

The development of machine learning models for electrocatalysts requires a broad set of
training data to enable their use across a wide variety of materials. One class of materials …

Transition-metal complexes are attractive targets for the design of catalysts and functional
materials. The behavior of the metal–organic bond, while very tunable for achieving target …