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Nucleation

The main objective of my recent research is to develop a fundamental understanding of the molecular mechanisms involved in the nucleation and crystal growth processes. The topics addressed within this scope include the study of polymorphism and solvatomorphism in organic crystals [1-4] and the effect of solvent in the outcome of a crystallization process [5-7]. Up to now, the performed studies revealed that the formation of different crystal structures is linked to the arrangement/interaction of solute molecules with solvent in the earlier stages of the aggregation process [7,8].

It was also clear that advances in the understanding the crystallization process, would be greatly helped by a microscopic view provided by theoretical studies. Thus, I currently engaged in the development of innovative computational tools for analysis of the structure of liquids and solutions [9,10].