Path Integral Simulations of Heavy, Warm Dense Matter

ORAL

Abstract

We develop an all-electron path integral Monte Carlo (PIMC) method for warm dense matter composed of elements with core electrons. For several second- and third-row elements, PIMC pressures, internal energies, and pair-correlation functions compare well with density functional theory molecular dynamics (DFT-MD) at low temperatures and enable the construction of coherent equations of state over a wide range of temperatures and densities. Details of the method and results will be discussed.

Authors

  • Kevin Driver

    University of California, Berkeley

  • Burkhard Militzer

    University of California, Berkeley