[HTML][HTML] From density response to energy functionals and back: An ab initio perspective on matter under extreme conditions

Z Moldabekov, J Vorberger, T Dornheim - Progress in Particle and Nuclear …, 2024 - Elsevier
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 …

[HTML][HTML] Toward first principles-based simulations of dense hydrogen

M Bonitz, J Vorberger, M Bethkenhagen… - Physics of …, 2024 - pubs.aip.org
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) …

[HTML][HTML] Ab initio path integral Monte Carlo simulations of warm dense two-component systems without fixed nodes: Structural properties

T Dornheim, S Schwalbe, MP Böhme… - The Journal of …, 2024 - pubs.aip.org
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 …

[HTML][HTML] Ab initio density response and local field factor of warm dense hydrogen

T Dornheim, S Schwalbe, P Tolias… - Matter and Radiation …, 2024 - pubs.aip.org
We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static
density responses and local field factors of hydrogen in the warm dense matter regime, from …

Unraveling electronic correlations in warm dense quantum plasmas

T Dornheim, T Döppner, P Tolias, M Böhme… - arxiv preprint arxiv …, 2024 - arxiv.org
The study of matter at extreme densities and temperatures has emerged as a highly active
frontier at the interface of plasma physics, material science and quantum chemistry with …

Revisiting the Vashishta-Singwi dielectric scheme for the warm dense uniform electron fluid

P Tolias, F Lucco Castello, F Kalkavouras, T Dornheim - Physical Review B, 2024 - APS
The finite temperature version of the Vashishta-Singwi (VS) dielectric scheme for the
paramagnetic warm dense uniform electron fluid is revisited correcting for an earlier …

First principles simulations of dense hydrogen

M Bonitz, J Vorberger, M Bethkenhagen… - arxiv preprint arxiv …, 2024 - arxiv.org
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) …

Direct free energy calculation from ab initio path integral Monte Carlo simulations of warm dense matter

T Dornheim, ZA Moldabekov, S Schwalbe, J Vorberger - Physical Review B, 2025 - APS
We carry out highly accurate ab initio path integral Monte Carlo simulations to directly
estimate the free energy of various warm dense matter systems including the uniform …

Normal liquid studied by path-integral Monte Carlo with a parametrized partition function

T Morresi, G Garberoglio - Physical Review B, 2025 - APS
We compute the energy per particle of normal liquid He 3 in the temperature range 0.15–2 K
using path-integral Monte Carlo simulations, leveraging a recently proposed method to …

Quadratic scaling path integral molecular dynamics for fictitious identical particles and its application to fermion systems

Y **ong, S Liu, H **ong - Physical Review E, 2024 - APS
Recently, fictitious identical particles have provided a promising way to overcome the
fermion sign problem and have been used in path integral Monte Carlo to accurately …