Automatic material discovery with desired properties is a fundamental challenge for sciences. Considerable attention has recently been devoted to generating stable crystal structures. While existing work shown impressive success on supervised tasks such as property prediction, the progress unsupervised generation still hampered by limited extent which equivalent geometric representations of sam...

This review examines how the concepts and ideas of crystallization can be extended further and applied to the field of mesoscopic soft materials. It concerns the structural characteristics vs. the macroscopic performance, and the formation mechanism of crystal networks. Although this subject can be discussed in a broad sense across the area of mesoscopic soft materials, our main focus is on sup...

The aim of this theoretical work is to investigate of the changes in structure and thermodynamics of spruce budworm antifreeze protein (sbAFP) at low temperatures by using molecular dynamics simulation. The aqueous solution will form ice crystal network under the vaguely hexagonal shape at low temperature and fully represented the characteristics of hydrophobic interaction. Like ice crystal net...