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 ...

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

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, ...

First-principles calculations, rooted in quantum mechanics and executed without recourse to empirical parameters, provide a robust framework for predicting the mechanical and thermodynamic properties ...

Over the years, many design principles of green chemistry and engineering have been proposed. This booklet organizes these principles in a visually compelling format. The principles fall into one of ...

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 ...