Towards an atomic-scale understanding of crystal growth in solution
Vlieg, Elias, Deij, Menno, Kaminski, Daniel, Meekes, Hugo, van Enckevort, Willem
FARADAY DISCUSSIONS 136: 57-69 2007

Abstract: Our understanding of crystal growth continues to increase thanks to progress in theoretical models, computer simulations and experimental techniques. A discussion of the state-of-the-art in morphology prediction and of the determination of the solid-liquid interface structure using X-ray diffraction shows, however, that there is still a large gap between experiment and theory. We expect that computer modelling, in the form of both Molecular Dynamics simulations and first-principle calculations, will play a crucial role in filling this gap.