Related papers: Ab initio simulation of warm dense matter
A density functional theory (DFT) framework is presented that links functional derivatives of free-energy functionals to non-linear static density response functions in quantum many-body systems. Within this framework, explicit expressions…
Recent high resolution Compton scattering experiments clearly reveal that there are fundamental limitations to the conventional local density approximation (LDA) based description of the ground state electron momentum density (EMD) in…
We perform first-principles path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of LiF. Our simulations cover a wide density-temperature range of…
Light-matter interactions are an established field that is experiencing a renaissance in recent years due to the introduction of exotic coupling regimes. These include the ultrastrong and deep strong coupling regimes, where the coupling…
Quantum simulators could provide an alternative to numerical simulations for understanding minimal models of condensed matter systems in a controlled way. Typically, cold atom systems are used to simulate e.g. Hubbard models. In this paper,…
Warm dark matter (WDM) has been proposed as an alternative to cold dark matter (CDM), to resolve issues such as the apparent lack of satellites around the Milky Way. Even if WDM is not the answer to observational issues, it is essential to…
We propose an ab-initio molecular dynamics method, capable to reduce dramatically the autocorrelation time required for the simulation of classical and quantum particles at finite temperature. The method is based on an efficient…
Understanding quantum many-body states of correlated electrons is one main theme in modern condensed matter physics. Given that the Fermi-Hubbard model, the prototype of correlated electrons, has been recently realized in ultracold optical…
A survey on the dynamical and thermodynamical properties of plasmas with strong Coulomb interactions in the quasi-classical density-temperature region is given. First the basic theoretical concepts describing nonideality are discussed. The…
We review recent developments in the physics of ultracold atomic and molecular gases in optical lattices. Such systems are nearly perfect realisations of various kinds of Hubbard models, and as such may very well serve to mimic condensed…
Combining classical density functional theory (cDFT) with quantum mechanics (QM) methods offers a computationally efficient alternative to traditional QM/molecular mechanics (MM) approaches for modeling mixed quantum-classical systems at…
The exploration of large-scale many-body phenomena in quantum materials has produced many important experimental discoveries, including novel states of entanglement, topology and quantum order as found for example in quantum spin ices,…
The study of strongly correlated electron systems remains a fundamental challenge in condensed matter physics, particularly in two-dimensional (2D) systems hosting various exotic phases of matter including quantum spin liquids,…
Except for small molecules, it is impossible to solve many electrons systems without imposing severe approximations. If the configuration interaction approaches (CI) or Coupled Clusters techniques \cite{FuldeBook} are applicable for…
Fuzzy dark matter (FDM) made of ultra-light bosonic particles is a viable alternative to cold dark matter (CDM) with clearly distinguishable small-scale features in collapsed structures. On large scales, it behaves gravitationally like CDM…
Recent experimental breakthroughs in trapping, cooling and controlling ultracold gases of polar molecules, magnetic and Rydberg atoms have paved the way toward the investigation of highly tunable quantum systems, where anisotropic,…
We study cosmological structure formation with ultralight axion dark matter, or "fuzzy dark matter (FDM), using a particle-mesh scheme to account for the quantum pressure arising in the Madelung formulation of the Schr\"odinger-Poisson…
The response of the uniform electron gas (UEG) to an external perturbation is of paramount importance for many applications. Recently, highly accurate results for the static density response function and the corresponding local field…
The XDEM multi-physics and multi-scale simulation platform roots in the Ex- tended Discrete Element Method (XDEM) and is being developed at the In- stitute of Computational Engineering at the University of Luxembourg. The platform is an…
Years ago Edwards proposed a thermodynamic description of dense granular matter, in which the grains (the `atoms' of the system) interact with inelastic forces. The approach is intriguing but is not justified from first principles, and…