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The simulation is based on a simple model that treats water molecules as rigid. Blue dashed lines indicate hydrogen bonds between water molecules. © Yuqing Qiu https://images.squarespace-cdn.com/content/v1/55ce0b25e4b0abb42a100514/1548443944755-FJN8MD6I74XRE0U652GK/image-asset.jpeg Movies - Structural transformation in a nanocrystal superlattice This movie shows a molecular dynamics computer simulation of 32 nanocrystals (yellow and gray) covered with organic ligand molecules (blue). Nanocrystals and ligands are modeled with a simplified "coarse-grained" model that allows the computer simulation of the dynamics of many atoms. The nanocrystals form a periodic array, a so-called "superlattice". Halfway through the simulation, the superlattice changes its structure, as ligands fill the gaps between nanocrystals. Such transformations have also been observed in experiments of nanocrystal self-assembly. © Zhaochuan Fan https://images.squarespace-cdn.com/content/v1/55ce0b25e4b0abb42a100514/1548444571916-EK5ULG3BWUKXUCB3GGD6/image-asset.jpeg Movies - Birth of a covalent organic framework This movie shows a computer simulation of the formation of a covalent organic framework (COF-5) from a solution of molecules. COFs are molecular crystals with large pores that can be used to store hydrogen gas. © Vu Nguyen https://images.squarespace-cdn.com/content/v1/55ce0b25e4b0abb42a100514/1548444853588-EAGZCNO85C5DTH88CIT2/image-asset.jpeg Movies - Transformation of a CdSe nanocrystal under pressure This movie shows a molecular dynamics computer simulation of a CdSe nanocrystal (bonds between atoms are shown in yellow and blue). Initially, the nanocrystals undergoes thermal fluctuations in vacuum. Then, it is immersed in a bath of ideal gas particles (blue spheres) which is used to gradually increase the pressure to about 6 GPa. 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