First-principles studies employ quantum mechanical methods, most notably density functional theory (DFT), to accurately predict the atomic-scale interactions that govern bonding, mechanical stability, ...

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 ...

First principles is a term commonly associated with math, physics and philosophy. But they can be applied to great effect in marketing. Being first is a big deal. The first person to adopt a new ...