156 citations · 517 across the 13 of their papers we have counts for
6 papers · 1 filter
Connecting Tikhonov regularization to the maximum entropy method for the analytic continuation of quantum Monte Carlo data
Khaldoon Ghanem, Erik Koch
Analytic continuation is an essential step in extracting information about the dynamical properties of physical systems from quantum Monte Carlo (QMC) simulations. Different method…
Population Control Bias and Importance Sampling in Full Configuration Interaction Quantum Monte Carlo
Khaldoon Ghanem, Niklas Liebermann, Ali Alavi
Population control is an essential component of any projector Monte Carlo algorithm. This control mechanism usually introduces a bias in the sampled quantities that is inversely pr…
The Adaptive Shift Method in Full Configuration Interaction Quantum Monte Carlo: Development and Applications
Khaldoon Ghanem, Kai Guther, Ali Alavi
In a recent paper, we proposed the adaptive shift method for correcting the undersampling bias of the initiator-FCIQMC. The method allows faster convergence with the number of walk…
NECI: N-Electron Configuration Interaction with emphasis on state-of-the-art stochastic methods
Kai Guther, Robert J. Anderson, Nick S. Blunt +22
We present NECI, a state-of-the-art implementation of the Full Configuration Interaction Quantum Monte Carlo algorithm, a method based on a stochastic application of the Hamiltonia…
Extending the average spectrum method: Grid points sampling and density averaging
Khaldoon Ghanem, Erik Koch
Analytic continuation of imaginary time or frequency data to the real axis is a crucial step in extracting dynamical properties from quantum Monte Carlo simulations. The average sp…
Unbiasing the initiator approximation in Full Configuration Interaction Quantum Monte Carlo
Khaldoon Ghanem, Alexander Y. Lozovoi, Ali Alavi
We identify and rectify a crucial source of bias in the initiator FCIQMC algorithm. Non-initiator determinants (i.e. determinants whose population is below the initiator threshold)…