First principle quantum Monte Carlo and quantum dynamics simulation of warm dense matter

• Applicant: Professor Dr. Michael Bonitz
• Subject Area: Optics, Quantum Optics and Physics of Atoms, Molecules and Plasmas
• Term: from 2020 to 2024
• Project identifier: Deutsche Forschungsgemeinschaft (DFG) - Project number 426133371

Warm dense matter (WDM) -- exotic matter on the boundary between dense plasmas and highly excited solids -- is presently undergoing a dramatic development. This is fueled by impressive progress in modern experiments with high intensity lasers and free electron lasers. However, a reliable theory is missing. Even though density functional theory (DFT) has emerged as a promising tool, its key input -- the exchange correlation (XC) functional that is applicable to these complicated systems -- is largely unknown. At the same time, accurate data for the XC-functional of the warm dense electron gas -- a suitable model for warm dense matter -- were recently obtained by quantum Monte Carlo (QMC) simulations by the group of Michael Bonitz at Kiel University. Joining forces with the group of Pawel Levashov from Moscow -- an expert in DFT simulations of warm dense matter -- the present project will achieve breakthroughs in accurate finite-temperature DFT simulations of WDM, present simulations of novel compression experiments, and obtain extensive benchmark data from \textit{ab initio} QMC simulations for key parameters such as the static local field correction and the the dynamical structure factor.

• DFG Programme: Research Grants
• International Connection: Russia
• Partner Organisation: Russian Science Foundation, until 3/2022
• Cooperation Partner: Privatdozent Dr. Pawel Levashov, until 3/2022