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Data and Scripts for "Accelerating Equilibration in First-Principles Molecular Dynamics with Orbital-Free Density Functional Theory"

Fiedler, Lenz; Moldabekov, Zhandos; Shao, Xuecheng; Jiang, Kaili; Dornheim, Tobias; Pavanello, Michele; Cangi, Attila


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@misc{fiedler_lenz_2022_1856,
  author       = {Fiedler, Lenz and
                  Moldabekov, Zhandos and
                  Shao, Xuecheng and
                  Jiang, Kaili and
                  Dornheim, Tobias and
                  Pavanello, Michele and
                  Cangi, Attila},
  title        = {{Data and Scripts for "Accelerating Equilibration 
                   in First-Principles Molecular Dynamics with
                   Orbital-Free Density Functional Theory"}},
  month        = may,
  year         = 2022,
  doi          = {10.14278/rodare.1856},
  url          = {https://doi.org/10.14278/rodare.1856}
}
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