[15p-S4_202-1~10] 9.2 ナノ粒子・ナノワイヤ・ナノシート

16:00 〜 16:15奨励賞エントリー英語発表

[15p-S4_202-8] Hybrid Density Functional Tight Binding (DFTB) - Force Field Method to Facilitate Large Scale Electronic Structure Calculations: Application to CO Adsorption on Nano-sized Zirconia

〇(DC)Kexin Chen¹, Aulia Sukma Hutama², Keisuke Kameda¹, Manabu Ihara¹, Sergei Manzhos¹ (1.Science Tokyo, 2.Gadjah Mada Univ.)

キーワード：

Density Functional Tight Binding、Nanoscale、Electronic structure