2:30 PM - 3:00 PM
[20p-W631-3] Large-Scale, Hybrid Quantum-Classical Simulation about Organic-Inorganic Interfaces
Keywords:organic-inorganic interface,simulation,DFT
Symposium
Symposium » 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
Keywords:organic-inorganic interface,simulation,DFT