The subject of crystal engineering started in the 1970s with the study of topochemical
reactions in the solid state. A broad chemical definition of crystal engineering was published …

Artificial intelligence and specifically machine learning applications are nowadays used in a
variety of scientific applications and cutting-edge technologies, where they have a …

The sixth blind test of organic crystal structure prediction (CSP) methods has been held, with
five target systems: a small nearly rigid molecule, a polymorphic former drug candidate, a …

The booming field of molecular electronics has fostered a surge of computational research
on electronic properties of organic molecular solids. In particular, with respect to a …

The past couple of years have witnessed a remarkable burst in the development of organic
field-effect transistors (OFETs), with a number of organic semiconductors surpassing the …

The century following the determination of the first crystal structure by the Braggs 1 has
yielded encyclopedic precise information on molecular geometry. The interatomic distances …

Interest in molecular crystals has grown thanks to their relevance to pharmaceuticals,
organic semiconductor materials, foods, and many other applications. Electronic structure …

Nearly twenty years ago, Dunitz and Bernstein described a selection of intriguing cases of
polymorphs that disappear. The inability to obtain a crystal form that has previously been …

A computational study of 1061 experimentally determined crystal structures of 508
polymorphic organic molecules has been performed with state-of-the-art lattice energy …

Though energetic compounds, and explosives in particular, represent some of the most
influential materials in human history, their modern evolution has been relatively slow. Aside …