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 ...
What if the secret to solving the world’s most complex problems wasn’t about thinking bigger, but thinking smaller, breaking things down to their most basic truths? This is the power of first ...
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