89 citations · 128 across the 15 of their papers we have counts for
4 papers · 1 filter
Reweighting Estimators for Density Response in Path Integral Monte Carlo: Applications to linear, nonlinear and cross-species density response
Pontus Svensson, Thomas Chuna, Jan Vorberger +5
We present density response estimators for Monte Carlo simulations that are based on a reweighting procedure, where the samples of an unperturbed system are used to estimate the pr…
Taylor series perspective on ab initio path integral Monte Carlo simulations with Fermi-Dirac statistics
Tobias Dornheim, Alexander Benedix Robles, Paul Hamann +6
The fermion sign problem constitutes a fundamental computational bottleneck across a plethora of research fields in physics, quantum chemistry and related disciplines. Recently, it…
Re-weighting estimator for ab initio path integral Monte Carlo simulations of fictitious identical particles
Tobias Dornheim, Pontus Svensson, Paul Hamann +4
The fermion sign problem constitutes one of the most fundamental obstacles in quantum many-body theory. Recently, it has been suggested to circumvent the sign problem by carrying o…
Accelerated free energy estimation in ab initio path integral Monte Carlo simulations
Pontus Svensson, Fotios Kalkavouras, Uwe Hernandez Acosta +4
We present a methodology for accelerating the estimation of the free energy from path integral Monte Carlo simulations by considering an intermediate artificial reference system wh…