  Macroscale continuum mechanics simulations rely on material properties
stemming from the microscale, which are normally described using
phenomenological equations of state (EOS). A method is proposed for the
automatic generation of first-principles unconstrained EOSs using a Gaussian
process on a set of ab initio molecular dynamics simulations, thereby closing
the continuum equations. We illustrate it on a hyperelasticity simulation of
bulk silicon using density-functional theory (DFT), following the dynamics of
shock waves after a cylindrical region is instantaneously heated.
