Proper Thermal Equilibration of Simulations with Drude Polarizable Models: Temperature-Grouped Dual-Nose-Hoover Thermostat

TitleProper Thermal Equilibration of Simulations with Drude Polarizable Models: Temperature-Grouped Dual-Nose-Hoover Thermostat
Publication TypeJournal Article
Year of Publication2019
AuthorsSon, CY, McDaniel, JG, Cui, Q, Yethiraj, A
JournalJournal of Physical Chemistry Letters
Volume10
Pagination7523-7530
Date PublishedDec
ISBN Number1948-7185
DOI10.1021/acs.jpclett.9b02983