Published online by Cambridge University Press: 09 November 2018
Magnetoelectric (ME) materials exhibit cross-coupling effects between magnetization and polarization, by which one can manipulate the magnetization (or polarization) with an electric (or magnetic) field. To better understand the responses of ME materials and the coupling mechanisms involved, various simulation methods at different scales, ranging from electronic and atomic scale to the mesoscale, have been developed in the past decades. In this article, we summarize recent progress in modeling and predicting responses of ME materials, and present our perspectives on key issues that require further study, including multiscale simulation methods and approaches dealing with dynamic processes. The simulation methods have the potential to illuminate the dynamic processes in ME materials and device response to external fields and eventually be used for guidance for the data-driven computational design of new ME materials and devices.