Characterizing Electron Transport in Matter at the Extremes using Mixed Stochastic-Deterministic Density Functional Theory*

Intertwining condensed matter with hot plasmas, warm dense matter (WDM) is a particularly exciting regime for planetary physics as well as the burgeoning field of fusion energy science. An accurate assessment of the static and dynamic transport properties of WDM merits the use of quantum-mechanical ab-initio methods which are often deemed computationally intractable. We propose a mixed stochastic-deterministic density functional theory (mDFT) approach, which combines the accuracy of traditional DFT with the computational complexity of stochastic algorithms, to cover a wider span of the temperature-density phase space. In this talk, I will present electronic transport coefficients computed for single- and multi- component testbed WDM mixtures. I will describe the Kubo-Greenwood formalism in the mDFT framework which minimizes the computational memory required for the calculation, by substantially reducing the number of electronic states. Finally, I will provide a nonadiabatic excited-state prescription of conductivity and charge measurement using time-dependent DFT.