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DCDFTBMD

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DCDFTBMD

DCDFTBMD 2.0 released

The new version of DCDFTBMD (version 2.0) is available for download now.

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Recent Posts

  • Paper on Hierarchical Parallelization of DC-DFTB-MD/MTD was adopted in Cover Image of J. Comput. Chem.
  • “DCDFTBMD” and “RAQET” software papers has been recognized as 2018-2019 top download papers
  • Large-scale quantum molecular dynamics simulation software “DCDFTBMD” (ver. 2.0) has been released since January 1st, 2020
  • Paper on Polaron Formation in Perovskite Solar Cell was selected as PCCP 2019 HOT Articlesf J. Chem. Theory Comput.
  • Review paper on Ubiquitous Proton was adopted in Cover Image of WIREs Comput. Mol. Sci.

Original paper

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