For more than half a century, materials scientists have struggled with how to simulate the complexity of polymer materials.

Polymer dynamics seeks to unravel how chain architecture, intermolecular interactions and external forces govern the motion and relaxation of macromolecules across time and length scales. Molecular ...

A research group has developed SPACIER, an advanced polymer material design tool that integrates machine learning with molecular simulations. As a proof of concept, the group successfully synthesized ...

The team published their method and experimental validation on Nov. 8 in npj Computational Materials. “Materials informatics (MI), a new branch of materials research that combines materials data with ...