TY  - RPRT
TI  - Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory-Based Ab Initio Molecular Dynamics II: Extensions to the Isobaric–Isoenthalpic and Isobaric–Isothermal Ensembles
AU  - Ko, Hsin-Yu
AU  - Santra, Biswajit
AU  - DiStasio, Robert A.
PY  - 2021
DO  - 10.1021/acs.jctc.0c01194
UR  - https://www.osti.gov/biblio/1981874
ID  - 1981874
ER  -