Using finite element codes as a numerical platform to run molecular dynamics simulations
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DOI: 10.1007/s00466-018-1594-5
Abstract: A mathematically rigorous methodology for embedding the governing equations of molecular dynamics in the formalism of the finite element method is presented. Only one generalized finite element type is needed to cover all different types… read more here.
Keywords: finite element; molecular dynamics; codes numerical; using finite ... See more keywords