Influence of temperature on the swelling pressure of bentonite clay

Molecular dynamics with coupling to an external bath

Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 30.3K citations · Full text

Vibronic Interaction, Thermodynamic Modelling, Engineering +13

Canonical sampling through velocity rescaling

Giovanni Bussi, Davide Donadio, Michele Parrinello · The Journal of Chemical Physics · 2007 · 17.5K citations · Full text

Engineering, Canonical Distribution, New Molecular Dynamics +17

A computer simulation method for the calculation of equilibrium constants for the formation of physical clusters of molecules: Application to small water clusters

William C. Swope, Hans Christian Andersen, Peter H. Berens et al. · The Journal of Chemical Physics · 1982 · 3.9K citations

Engineering, Computational Chemistry, Chemistry +20

Molecular Models of Hydroxide, Oxyhydroxide, and Clay Phases and the Development of a General Force Field

Randall T. Cygan, Jian-Jie Liang, Andrey G. Kalinichev · The Journal of Physical Chemistry B · 2004 · 3K citations

Engineering, Molecular Models, Clay Phases +20

Influence of temperature on the hydro-mechanical behaviour of a compacted bentonite

María Victoria Villar, A. Lloret · Applied Clay Science · 2004 · 432 citations

Geotechnical Engineering, Materials Science, Clay Mineral +12