Conspectus Concentration-driven processes in solution, ie, phenomena that are sustained
by persistent concentration gradients, such as crystallization and surface adsorption, are …

The prediction of solubility is a complex and challenging physicochemical problem that has
tremendous implications for the chemical and pharmaceutical industry. Recent …

We have tested the ability of a hybrid density functional theory (DFT)–continuum solvation
approach to simulate processes relevant to sorption and crystal growth at the solid–water …

A workflow for the digital design of crystallization processes starting from the chemical
structure of the active pharmaceutical ingredient (API) is a multistep, multidisciplinary …

The focus of this study was to examine antisolvent effects, which hold significance in
particulate processes, such as crystallization and precipitation. In the first section, an …

Molecular dynamics simulations offer a robust approach to understanding the material
properties within a system. Solubility is defined as the analytical composition of a saturated …