First-principles methods, particularly density functional theory, have become indispensable for probing the fundamental origins of mechanical resilience and electronic behaviour in crystalline ...

Two-dimensional (2D) materials show great promise for photocatalysis, a key technology for sustainable energy solutions like water splitting. However, optimizing their performance requires precise ...

This review paper published in AI & Materials explores the implementation of first-principles calculation method within high-entropy carbides ceramics (HECCs) research, specifically examining its role ...

Fiber optics and wireless data can be sent quickly from offshore rigs to an onshore collaborative center, but workers still exhibit a reluctance to break from traditional ways of interacting. The ...