The graphite found in your favorite pencil could have instead been the diamond your mother always wears. What made the difference? Researchers are finding out.

Abstract We propose a multiscale simulation strategy to study the interplay between diffusion and curing reaction on the network formation and the corresponding mechanical properties of epoxy resins.

The model is trained on a massive dataset over 200 milliseconds of molecular dynamics simulations and half a million protein ...

A major scientific advance in protein modeling developed by Microsoft Research AI for Science, has been published in Science.

A newly developed generative AI model is helping researchers explore protein dynamics with increased speed. The deep learning system, called BioEmu, predicts the full range of conformations a protein ...

Microsoft’s artificial intelligence tool BioEmu can predict the multiple conformational states of a protein, giving insight into how a protein moves and its potential function.

Molten carbon can crystallize into diamond or graphite, but it has been difficult to study this process. New simulations show ...