In recognition of the 50th anniversary of the first manned lunar landing, the National
Aeronautics and Space Administration (NASA), together with the European Space Agency …

Quantum mechanics (QM) approaches (DFT, MP2, CCSD (T), etc.) play an important role in
calculating molecules and crystals with a high accuracy and acceptable efficiency. In recent …

Metal halide perovskites have arisen as a new family of semiconductors for radiation
detectors due to their high stopping power, large and balanced electron–hole mobility …

Crystallization is the primary process used to purify synthetic drug substances and
intermediates as well as to control bulk properties, including particle size, surface area, and …

During the growth of organic crystals, crystal defects can be formed. Microscopic defects,
which include point, line, and planar defects, appearing as vacancies, growth dislocations …

Prediction and control of the product properties in crystallization processes are practical
challenges in the pharmaceutical industry. Effective crystallization process design and …

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 …

The development of a process model for the batch cooling crystallization of an anticancer
drug from Takeda Pharmaceuticals is presented. The compound forms needle-like crystals …

As a crucial factor, crystal morphology significantly influences the energy and safety
properties of energetic materials (EMs). Theoretical prediction of crystal morphology is …

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 …