GPU-Accelerated Large-Scale Molecular Simulation Toolkit
Station: Research


Liquid crystals (LCs) are matter in a state that has properties between those of conventional liquid and those of solid crystal. Examples of liquid crystals can be found both in the natural world and in technological applications. We employ GPU-accelerated molecular dynamics method with coarse-grained Gay-Berne model to investigate the phase transition of small liquid crystal molecules. The unbelievable speed-up by our program enable us to study the packing structures of single anisotropic molecule or the chain which consists of them.

Model and methods: