Classical density functional theory: an ideal tool to study heterogeneous crystal nucleation

Density functional theory provides an ideal microscopic theory to address freezing and crystallization problems. We review the application of static density functional theory for the calculation of equilibrium phase diagrams. We also describe the dynamical extension of density functional theory for systems governed by overdamped Brownian dynamics. Applications of density functional theory to crystallization problems, in particular to heterogeneous crystal nucleation and subsequent crystal growth, are summarized. Heterogeneous nucleation at an externally imposed nucleation cluster is discussed in detail, in particular for a simple two-dimensional dipolar system. Finally the relation of dynamical density functional theory and the phase field crystal approach are outlined.