Susumu YAMAMOTO
| Name | Susumu YAMAMOTO |
| Department/Research Field | Computational Physics |
| Research content |
| We are developing the Quantum Molecular-Dynamics package called ELSES with some collaborators. Our contribution is related to the model Hamiltonian and the parameter determination procedure. Parameters are determined referencing the ab-initio electronic structure calculation of a crystal. We can calculate large-scale or long-time behavior of a condensed-matter system. We also developing numerical methods to achieve large-scale calculations. |
 A periodic supercell of Si 6x6x6 atoms with a single vacancy (gray site). We are developing a TBMD package for simulating the long-term evolution of such large-scale systems.
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| Research theme |
1. Quantum Molecular Dynamics |
| Research keywords |
| TBMD , model Hamiltonian , large-scale calculation |
| Lab link |