[B-4-4] Development of Electric Conductivity Simulator Based on Tight-Binding Quantum Chemical Molecular Dynamics

Hideyuki Tsuboi, Hiroshi Setogawa, Michihisa Koyama, Akira Endou, Momoji Kubo, Ewa Bloclawik, Akira Miyamoto (1.Department of Applied Chemistry, Graduate School of Engineering, Tohoku University, 2.Institute of Fluid Science, Tohoku University, 3.PRESTO, Japan Science and Technology Agency, 4.New Industry Creation Hatchery Center, Tohoku University)

https://doi.org/10.7567/SSDM.2005.B-4-4