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Application of a spherically averaged pair potential in ab initio path integral Monte Carlo simulations of a warm dense electron gas

Tobias Dornheim1,2,*, Thomas M. Chuna1,2, Hannah M. Bellenbaum1,2,3, Zhandos A. Moldabekov1,2, Panagiotis Tolias4, and Jan Vorberger2

  • *Contact author: t.dornheim@hzdr.de

Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics

Tobias Dornheim, Alexander Benedix Robles, Paul Hamann, Thomas M. Chuna, Pontus Svensson, Sebastian Schwalbe, Zhandos A. Moldabekov, Panagiotis Tolias, and Jan Vorberger

Phys. Rev. Research 8 023042 (2026)

Reweighting Scheme for the Calculation of Grand‐Canonical Expectation Values in Quantum Monte Carlo Simulations With a Fermion Sign Problem

Paul Hamann, Jan Vorberger, and Tobias Dornheim

Contrib. Plasma Phys 66 e70091 (2026)

Kinetic Contribution to the Arbitrary Order Odd Frequency Moments of the Dynamic Structure Factor

Panagiotis Tolias, Tobias Dornheim, and Jan Vorberger

Contrib. Plasma Phys e70090 (2026)

Molecular dynamics of nondegenerate hydrogen plasma using improved Kelbg pseudopotential with electron thermal de Broglie wavelength correction

G. S. Demyanov and P. R. Levashov

Physics of Plasmas 32 123901 (2025)

Study of the uniform electron gas through parametrized partition functions

Tommaso Morresi, Giovanni Garberoglio, Hongwei Xiong, and Yunuo Xiong

Phys. Rev. B 112 155131 (2025)

Accelerated Free Energy Estimation in Ab Initio Path Integral Monte Carlo Simulations

Pontus Svensson, Fotios Kalkavouras, Uwe Hernandez Acosta, Zhandos A. Moldabekov, Panagiotis Tolias, Jan Vorberger, and Tobias Dornheim

J. Phys. Chem. Lett. 16 10639 (2025)

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