Artificial Intelligence (AI) algorithms are increasingly providing decision making and
operational support across multiple domains. AI includes a wide (and growing) library of …

Plane wave pseudopotential (PWP) density functional theory (DFT) calculation is the most
widely used method for material simulations, but its absolute speed stagnated due to the …

A three-dimensional structural model of a complex CO2-based organic framework made
from high molecular weight, self-assembled, flexible and multi-functional oligomeric …

Drug/lense combinations have proven significant in the field of ocular therapeutics. The
development of innovative systems and elaboration processes is an upcoming issue for …

We now report that a dynamic combinatorial selection approach can quantitatively provide,
from trivial building blocks, an architecturally complex organic material, in which carbon …

The purpose of this work is to contribute to a better control of the crystallization process
which occurs in a supercritical medium, especially during the Supercritical AntiSolvent (SAS) …

We investigate the temporal dynamics of terrylene diimide molecule with four phenoxy rings
(TDI) in a poly (styrene)(PS) matrix in the supercooled regime by use of single molecule …

This paper presents the recrystallization of sodium bicarbonate (NaHCO 3) using the
Supercritical AntiSolvent process. The focus is pointed toward crystal habit and its …

This work highlights the capabilities and limits of X-ray computed tomography in
crystallization monitoring through a use case involving paracetamol as the solute …

The goal of this study was molecular modeling of cyclodextrin (CD) and carotenoid complex
formation. Distinction was made between complexes resulting from interactions between …