34th IUPAP Conference on Computational Physics（CCP2023）

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Poster

Poster

Poster 1

Sat. Aug 5, 2023 4:10 PM - 6:10 PM Reception Hall (3F)

[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))

Keywords:Density functional tight binding, large scale ab initio modeling, semiempirical methods

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