[IGS09-1] International_Molecular dynamics 1

11:20 AM - 11:35 AM JST(2:20 AM - 2:35 AM UTC)

[IGS09-1-02] Developement of a reactive molecular dynamics model for liquid ammonia with faithful thermodynamic properties

〇Donatas Surblys¹, Taku Ohara¹ (1. Tohoku University)

Keywords:

Molecular Dynamics,Ammonia,Thermodynamic Properties,ReaxFF,Reactive Force Field