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Advanced Materials

Publication date: 2021-06-01
Volume: 33
Publisher: Wiley

Author:

Alessandri, Riccardo
Grunewald, Fabian ; Marrink, Siewert J

Keywords:

Science & Technology, Physical Sciences, Technology, Chemistry, Multidisciplinary, Chemistry, Physical, Nanoscience & Nanotechnology, Materials Science, Multidisciplinary, Physics, Applied, Physics, Condensed Matter, Chemistry, Science & Technology - Other Topics, Materials Science, Physics, coarse‐, graining, Martini, molecular dynamics, GRAINED MOLECULAR-DYNAMICS, GRAFTED GOLD NANOPARTICLES, WALLED CARBON NANOTUBES, FORCE-FIELD EXTENSION, LIPID-BILAYERS, IONIC LIQUIDS, COMPUTER-SIMULATIONS, MESOSCALE SIMULATION, PEPTIDE AMPHIPHILES, TEMPLATED SYNTHESIS, coarse-graining, 02 Physical Sciences, 03 Chemical Sciences, 09 Engineering, 34 Chemical sciences, 40 Engineering, 51 Physical sciences

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, MartiniĀ 3.