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Updated: Aug 1, 2025

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Enabling large-scale quantum path integral molecular dynamics simulations through the integration of Dcdftbmd and

Yoshifumi Nishimura1, Hiromi Nakai1,2

  • 1Waseda Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan.

The Journal of Chemical Physics
|April 27, 2023
PubMed

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