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Molecular Crystal Growth Mechanisms

(IRG 2)






Foundations for mechanistic molecular crystal growth

        • nucleation

        • formation and structure of dislocations

        • stepwise cell-level mechanisms

        • non-classical habits and polycrystalline patterns



Molecular crystals are different

        • internal dynamics underlie colligative properties

        • synthesis a powerful tool for studying binding

        • distinct energy and force scales



(Delta)G prediction, nucleation on demand, dislocation modeling, unit cell assembly, non-ideal growth modes – applications in pharmaceutical, electronic, optical, and magnetic materials



IRG 2: Molecular Crystal Growth Mechanisms assembles a team from Chemistry, Physics, Mathematics, and Chemical Engineering to investigate the fundamental science of molecular crystal growth, which is vital for pharmaceuticals, organic electronics, and other technologies. While atomic crystal growth is highly developed, understanding even the most basic elements of molecular crystal growth is lacking. This IRG combines world-class expertise in theoretical modeling, computer simulation, and experiment to develop predictive models of crystal structure and free energy, and to investigate nucleation, growth kinetics, dislocation formation, and the reaction mechanisms of crystal formation.

Explore IRG2 Research Projects and Senior Investigators


(click here)

- Crystal growth mechanisms for materials design -