Energy from renewable resources is central to environmental sustainability. Among the
renewables, sunlight-driven fuel synthesis is a sustainable and economical approach to …

Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

With the development of advanced electronic devices and electric power systems, polymer-
based dielectric film capacitors with high energy storage capability have become particularly …

BACKGROUND Metallic components are the cornerstone of modern industries such as
aviation, aerospace, automobile manufacturing, and energy production. The stringent …

Polymer materials provide solutions to some of the most pressing environmental,
manufacturing and health-care challenges. Traditional thermoplastic and thermoset …

Machine learning models are poised to make a transformative impact on chemical sciences
by dramatically accelerating computational algorithms and amplifying insights available from …

The Martini model, a coarse‐grained force field for molecular dynamics simulations, has
been around for nearly two decades. Originally developed for lipid‐based systems by the …

The solar‐energy‐driven photoreduction of CO2 has recently emerged as a promising
approach to directly transform CO2 into valuable energy sources under mild conditions. As a …

The concept of multiscale modelling has emerged over the last few decades to describe
procedures that seek to simulate continuum-scale behaviour using information gleaned from …

Solutions to many of the world's problems depend upon materials research and
development. However, advanced materials can take decades to discover and decades …