An Overview of Utilizing Artificial Intelligence in theSimulation Process and Predicting Epoxy Resin Properties

Epoxy resin is extensively employed in a wide range of applications due to its exceptional properties. Theperformance of epoxy systems exhibits substantial variations based on the specific combination of the baseresin and curing agent. The characteristics of the resin system undergo significant variations because of thediverse combinations of the base resin, curing agent, and toughening agent. Thus, predicting the properties ofepoxy resin composites is a challenge for researchers since the simulation process can be affected by variousvariables. Molecular dynamics (MD) simulation has always been used as an effective tool for designing andpredicting the properties of epoxy resin systems. However, molecular dynamic approaches can be timeconsumingand, in some cases, costly. Recently, the integration of machine learning (ML) with moleculardynamics (MD) simulations has attracted the attention of researchers as an effective tool for designing epoxyresin composites. Herein, the attempts to predict the properties of epoxy systems have been reviewed in thispaper to fully investigate the advantages of the integration of molecular dynamics (MD) and machinelearning approaches. Moreover, the prospects and research gaps of this new method have been expressed forfuture research opportunities.

Keywords:

Machine Learning , Molecular Dynamics , Epoxy Resins