Presentation Information
[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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