Molecular dynamics simulations have emerged as a pivotal tool in the study of polymers and soft matter, enabling scientists to bridge the gap between atomistic detail and mesoscale phenomena. These ...

Ammonia is an important molecule with many applications. The end product of the famed Haber-Bosch process, it is commonly synthesized to capture nitrogen for fertilizers, and is used for refrigeration ...

In the pharmaceutical discovery process, understanding a drug’s residence time—the duration a molecule remains bound to its ...

With climate change posing an unprecedented global challenge, the demand for environmentally friendly solvents in green ...

High-entropy alloys, characterized by high-entropy, lattice distortion, sluggish diffusion, and the "cocktail" effect due to their multiple elements, are promising for various applications, including ...