Reactions of the light actinide ions (Th to Cm) at the mineral− aqueous solution interface
have attracted much attention during recent years. Initially research was mainly driven by the …

In the context of rising anthropogenic activities and world conflicts, there is an urgent need
for energy supply, such as nuclear power from uranium minerals. Nonetheless, uranium is …

As a general-purpose force field for molecular simulations of layered materials and their fluid
interfaces, Clayff continues to see broad usage in atomistic computational modeling for …

The swelling properties of smectite clay minerals are relevant to many engineering
applications including environmental remediation, repository design for nuclear waste …

Moreover, the spectra shown by Figure 8F are highly similar to the spectra from Figure 7D of
the article that the first author, the last author et al have previously published in Dalton …

We report new molecular dynamics results elucidating the structure of the electrical double
layer (EDL) on smectite surfaces contacting mixed NaCl–CaCl 2 electrolyte solutions in the …

The dynamics of water confined to mesoporous regions in minerals such as swelling clays
and zeolites is fundamental to a wide range of resource management issues impacting …

Because of a number of technological advancements, unconventional hydrocarbons, and in
particular shale gas, have transformed the US economy. Much is being learned, as …

We report a molecular dynamics study of the structure and dynamics of water at a clay
surface. The negative charge of the surface and the presence of surface oxygen atoms …

Three new structural models of montmorillonite with differently distributed Al/Si and Mg/Al
substitutions in the tetrahedral and octahedral clay layers are systematically developed and …