Multiphysics Model and Application Development for Controlled 2D Materials Growth

This review provided an overview of theoretical, computational, and machine learning methods and tools at multiple length and time scales, and how they can be utilized to assist/guide the design and synthesis of 2D materials. It focuses on three methods at different length and time scales as follows:
(i) nanoscale atomistic simulations; (ii) mesoscale methods such as phase-field method; and (iii) macroscale continuum approaches by coupling thermal and chemical transport equations. It also discusses how machine learning can be combined with computation and experiments to guide the discovery of new 2D materials.