Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based <i>Ab Initio</i> Molecular Dynamics. 1. Theory, Algorithm, and Performance
Hsin-Yu Ko(University of North Texas), Robert A. DiStasio(Princeton University), Roberto Car(Princeton University), Biswajit Santra(Princeton University), Xifan Wu(Temple University), Junteng Jia(Cornell University)
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