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 ...

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

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 a study published in PNAS, a research team led by SHI Xinghua from the National Center for Nanoscience and Technology (NCNST) of the Chinese Academy of Sciences, in collaboration with GAO Huajian's ...

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 ...