Energy functionals serve as the basis for different models and methods in quantum and
classical many-particle physics. Arguably, one of the most successful and widely used …

Accurate knowledge of the properties of hydrogen at high compression is crucial for
astrophysics (eg, planetary and stellar interiors, brown dwarfs, atmosphere of compact stars) …

Rigorous diagnostics of experiments with warm dense matter are notoriously difficult. A key
method is X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is …

We present extensive new ab initio path integral Monte Carlo (PIMC) results for a variety of
structural properties of warm dense hydrogen and beryllium. To deal with the fermion sign …

Orbital-free density functional theory constitutes a computationally highly effective tool for
modeling electronic structures of systems ranging from room-temperature materials to warm …

We develop a framework for on-the-fly machine learned force field (MLFF) molecular
dynamics (MD) simulations of warm dense matter (WDM). In particular, we employ an MLFF …

The properties of hydrogen at warm dense matter (WDM) conditions are of high importance
for the understanding of astrophysical objects and technological applications such as inertial …

In this work, we introduce the concept of a tunable noninteracting free-energy density
functional and present two examples realized:(i) via a simple one-parameter convex …

Accurate modeling of warm and hot dense matter is challenging in part due to the multitude
of excited states that must be considered. Here, we present a variational framework that …

SPARC is an accurate, efficient, and scalable real-space electronic structure code for
performing ab initio Kohn–Sham density functional theory calculations. Version 2.0. 0 of the …