Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

  • Hsin Yu Ko
  • , Hsin Yu Ko
  • , Junteng Jia
  • , Biswajit Santra
  • , Biswajit Santra
  • , Xifan Wu
  • , Roberto Car
  • , Roberto Car
  • , Robert A. Distasio

Research output: Contribution to journal › Article › peer-review

51 Scopus citations

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