TY  - RPRT
TI  - Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance
AU  - Ko, Hsin-Yu
AU  - Jia, Junteng
AU  - Santra, Biswajit
AU  - Wu, Xifan
AU  - Car, Roberto
AU  - DiStasio, Jr., Robert A.
PY  - 2020
DO  - 10.1021/acs.jctc.9b01167
UR  - https://www.osti.gov/biblio/2999559
ID  - 2999559
ER  -