Poster 1

[PS1-22] Combining Density Functional Tight Binding (DFTB) with Empiric Potentials for Large-Scale Semiempirical Materials Modeling

*Sergei Manzhos¹, Gekko Budiutama¹, Ruicheng Li¹, Manabu Ihara¹ (1. Tokyo Institute of Technology (Japan))

キーワード：Density functional tight binding, large scale ab initio modeling, semiempirical methods