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Large-scale quantum molecular dynamics simulation software “DCDFTBMD” (ver. 2.0) has been released since January 1st, 2020

Large-scale quantum molecular dynamics simulation software “DCDFTBMD” (ver. 2.0) has been released since November 1st, 2018
Please register from the download page.
In addition, there is a certain examination and the applications will be not accepted in some cases.

Author dcdftbmd_adminPosted on 2020年1月1日2026年3月30日

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  • “DCDFTBMD” and “RAQET” software papers has been recognized as 2018-2019 top download papers
  • Paper on Hierarchical Parallelization of DC-DFTB-MD/MTD was adopted in Cover Image of J. Comput. Chem.
  • 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.

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