[A04-2am] 04. Physical Chemistry -Properties-

[A04-2am-04] Possibility of ab initio effective fragment potential molecular dynamics simulations for predicting thermodynamic properties of the functional liquid materials

^○Nahoko KUROKI¹, Hirotoshi MORI^1,2 (1. Chuo Univ., 2. IMS)

[Lang.] English

Keywords:functional liquid materials, ab initio molecular dynamics, effective fragment potential, intermolecular interaction