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, ...

Gas sensing material screening faces challenges due to costly trial-and-error methods and the complexity of multi-parameter ...

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 ...