Molecular dynamics simulations have become indispensable for unravelling the behaviour of clay minerals at the atomic scale. By modelling individual atoms or coarse‐grained units over time, these ...

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 ...

A team of researchers led by Felipe Herrera, a professor at the University of Santiago and a researcher at the Millennium ...

Molecular switches are nanoscale devices that can reversibly change their state or conformation in response to external stimuli. These switches are typically individual molecules or molecular ...