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Showing 1 to 2 of 2 for “"Molecular dynamics--Computer simulation"”.
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Slab-Geometry Molecular Dynamics Simulations: Development and Application to Calculation of Activity Coefficients, Interfacial Electrochemistry, and Ion Channel Transport
<p>Methods of slab-geometry molecular dynamics computer simulation were tested, compared, and applied to the prediction of activity coefficients, interfacial electrochemistry characterization, and ion transport through a model biological channel-membrane structure. The charged-sheets, 2-D Ewald, …
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Parallel simulation of reinforced concrete sructures using peridynamics
… Stewart Silling introduced the concept of peridynamics in 1998. Similar to molecular dynamics, peridynamic modeling of a physical structure involves simulating interacting particles subjected to an empirical force field. The evolution of interacting particles determines the deformation of the …