Rock candy, where sucrose molecules form crystals via hydrogen bonds, is a simple example. Endowing molecular crystals with porosity unlocks vast potential for gas separation, sensing, and catalysis.

Understanding how molecular arrangements within crystals influence their thermal behavior is a fundamental question in solid-state chemistry. This topic is especially relevant in pharmaceuticals ...

This 3-day workshop will broadly cover four following themes focusing on the challenges and opportunities in Crystal Structure Prediction (CSP): Recent advances in CSP methods Examples of CSP ...

Fig. 1: A crystal of the salt (m-FAni+) (DB [18]crown-6) [Ni (dmit)2]− . The orientation of the fluorine atom is shown in yellow. As grown, the fluorine atom can be either on the left or right ...

Softening crystals without heat: Using terahertz pulses to manipulate molecular networks Date: November 12, 2010 Source: Institute for Integrated Cell-Material Sciences, Kyoto University Summary ...

Normalizing flows (NF) are a class of powerful generative models that have gained popularity in recent years due to their ability to model complex distributions with high flexibility and ...

Based on the literature analysis, we have built up a database containing fusion temperatures and enthalpies of two-component molecular cocrystals and individual compounds (3032 occurrences). The ...