A Robust, Symmetric Operator-Composition Integrator for the Berendsen Temperature-Control Molecular Dynamics Equation
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DOI: 10.7566/jpsj.89.064004
Abstract: The Berendsen equations of motion (EOM) are widely used for controlling the temperature of a target physical system in molecular dynamics simulations. Its numerical integration, however, has never ... read more here.
Keywords: temperature; molecular dynamics; robust symmetric; symmetric operator ... See more keywords