Metadynamics simulations of nucleation

Abstract

This chapter offers an overviewof recent applications of themetadynamics method to the study of nucleation and related phenomena. In the first section, the classical nucleation theory and themetadynamicsmethod are introduced. The second section is devoted to applications, including computational studies of the surface tension, which affects the size and energy of criticial nuclei, and investigation of crystal nucleation from the amorphous and supercooled liquid state.