The 63rd JSAP Spring Meeting, 2016

Presentation information

Symposium

Symposium » New trends in computational materials science -Molecular electronics and bioelectronics

[20p-W631-1~8] New trends in computational materials science -Molecular electronics and bioelectronics

Sun. Mar 20, 2016 1:45 PM - 5:30 PM W631 (W6)

Satoshi Kera(IMS), Yukihiro Shimoi(AIST), Ryoji Asahi(Toyota Central R&D Labs.)

2:30 PM - 3:00 PM

[20p-W631-3] Large-Scale, Hybrid Quantum-Classical Simulation about Organic-Inorganic Interfaces

Shuji Ogata1 (1.Nagoya Inst. Tech.)

Keywords:organic-inorganic interface,simulation,DFT