[H937-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

2:10 PM - 2:20 PM JST(5:10 AM - 5:20 AM UTC)Japanese

[H937-3pm-07] Development of ab initio divide-and-conquer method under periodic boundary condition

○Gen Ogawa¹, Masatsugu Nishida², Tomoko Akama³, Masato Kobayashi^3,4, Tetsuya Taketsugu^3,4 (1. Sch. Sci., Hokkaido Univ., 2. Grad. School Chem. Sci. Eng., Hokkaido Univ., 3. WPI-ICReDD, Hokkaido Univ., 4. Fac. Sci., Hokkaido Univ.)

Keywords:

Divide-and-conquer method,Periodic boundary condition,Amorphous,Electronic structure calculation