適用於大動量系統之分子表列法則研究

The Study of Molecule List Algorithm Based on the Large Momentum Molecular System

The purpose of this paper is to propose an modified list method based on the Verlet neighbor list for the large momentum system in the molecular dynamics field. The list updated mechanism of this method is controlled by the momentum of each molecule. The variation of the list is more apparent and rapid as the system's momentumincreasing through this study. Therefore, the list updated timing is realistic than the traditional Verlet neighbor list in the large momentum system, such as the nano-flow problem. It is applicable to construct the reasonable calculation and benefit to the improvement of MD's calculation.