[15p-S4_202-1~10] 9.2 Nanoparticles, Nanowires and Nanosheets

4:00 PM - 4:15 PM JST(7:00 AM - 7:15 AM UTC)Presentation by Applicant for JSAP Young Scientists Presentation AwardEnglish Presentation

[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.)

Keywords:

Density Functional Tight Binding,Nanoscale,Electronic structure