The Martini Model in Materials Science

Adv Mater. 2021 Jun;33(24):e2008635. doi: 10.1002/adma.202008635. Epub 2021 May 6.

Abstract

The Martini model, a coarse-grained force field initially developed with biomolecular simulations in mind, has found an increasing number of applications in the field of soft materials science. The model's underlying building block principle does not pose restrictions on its application beyond biomolecular systems. Here, the main applications to date of the Martini model in materials science are highlighted, and a perspective for the future developments in this field is given, particularly in light of recent developments such as the new version of the model, Martini 3.

Keywords: Martini; coarse-graining; molecular dynamics.