Crystalline materials are of crucial importance to the pharmaceutical industry, as a large
number of APIs are formulated in crystalline form, occasionally in the presence of crystalline …

Nucleation is a fundamental process widely studied in different areas of industry and
biology. This review paper comprehensively discussed the principles of classical nucleation …

Traditional batch crystallization processes encounter challenges like batch-to-batch
variability, and difficulty in scale-up and achieving desired crystal size and morphology …

Desolvation barriers are present for solute–solvent exchange events, such as ligand binding
to an enzyme active site, during protein folding, and at battery electrodes. For solution-grown …

The crystallization of α-p-aminobenzoic acid (p ABA) from mixed solutions in ethanol (EtOH)
and nitromethane (NMe) is reported. From solutions with compositions> 60 wt% NMe, the …

Foreign molecules in solution often disrupt crystal growth mechanisms and alter the crystal
morphology. In this article, we predict crystal morphologies for molecules of interest by …

The key intermolecular (synthonic) interactions, crystal morphology, and surface interfacial
stability of the anti-inflammatory drug RS-ibuprofen are examined in relation to its bulk …

We present a molecular dynamics simulation method for the computation of the solubility of
organic crystals in solution. The solubility is calculated based on the equilibrium free energy …

Mechanistic modeling facilitates rational crystallization engineering and design space
screening. For an accurate model, the dominant growth mechanism operating on each face …

Crystal morphology prediction tools have drawn scientific and industrial interest because of
the important relationship between the morphology and crystal properties and performance …