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Modelling transient heat conduction in solids at multiple length and time scales: A coupled non-equilibrium molecular dynamics/continuum approach

This paper arose from an all-expenses paid invitation to a workshop on molecular dynamics at The Institute of Mathematics, University of Minnesota, USA (July 2007) and resulted in an invited chapter in Trends in Computational Nanomechanics (pages 85-134, Springer 2010) on “Nonequilibrium Molecular Dynamics”, an invited talk at the IUTAM symposium on “Multiscale Modelling” in Aalborg, Denmark in 2008 and an all-expenses paid invitation to a workshop on “Modelling the Dynamics of Complex Molecular Systems” at the Lorentz Institute in Leiden, Netherlands (4 weeks, August 2012). Subsequent work has led to a grant submission on long time simulation of biomolecules.