A finite temperature bridging domain method for MD-FE coupling and application to a contact problem

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

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen · Journal of Computational Physics · 1977 · 21.1K citations

Numerical Analysis, Cartesian Equations, Engineering +11

Embedded-atom method: Derivation and application to impurities, surfaces, and other defects in metals

Murray S. Daw, M. I. Baskes · Physical review. B, Condensed matter · 1984 · 7.1K citations

Total Energy, Embedded-atom Method, Engineering +23

Structural stability and lattice defects in copper:<i>Ab initio</i>, tight-binding, and embedded-atom calculations

Y. Mishin, Michael J. Mehl, D. A. Papaconstantopoulos et al. · Physical review. B, Condensed matter · 2001 · 2.1K citations

Embedded-atom Method, Engineering, Structural Stability +23

The elastic contact of a rough surface

A.W. Bush, R.D. Gibson, T. R. Thomas · Wear · 1975 · 772 citations

Engineering, Mechanics, Contact Mechanic +7