The 79th JSAP Autumn Meeting, 2018

Presentation information

Oral presentation

15 Crystal Engineering » 15.1 Bulk crystal growth

[21a-431B-1~8] 15.1 Bulk crystal growth

Fri. Sep 21, 2018 9:00 AM - 12:00 PM 431B (431-2)

Yuui Yokota(Tohoku Univ.), Hiraku Ogino(AIST)

10:30 AM - 11:15 AM

[21a-431B-5] [INVITED] Faster and Sophisticated Design and Development of New Photonic Crystals based on Materials Informatics

Yoshiyuki Kawazoe1 (1.Niche, Tohoku Univ.)

Keywords:Materials Informatics

A new computing method which applies artificial intelligence to design and develop new materials (Materials Informatics, MI) which have been difficult to be designed by traditional theoretical methods. We are developing our own ab initio computer simulation software (TOMBO, TOhoku Mixed Basis
Orbitals ab initio computer simulation package), which can compute ionization potential, electron affinity, and band gap in absolute values. By using TOMBO with MI it is now possible to predict new photonic materials efficiently and quickly and suggest candidate materials to experimentalists..