Loganathan, N; Yazaydin, AO; Bowers, GM; Kalinichev, AG; Kirkpatrick, RJ; (2016) Structure, Energetics, and Dynamics of Cs+ and H2O in Hectorite: Molecular Dynamics Simulations with an Unconstrained Substrate Surface. Journal of Physical Chemistry C , 120 (19) pp. 10298-10310. 10.1021/acs.jpcc.6b01016.