activity
20192024
most citedThe Ground State Electronic Energy of Benzene

156 citations · 517 across the 13 of their papers we have counts for

collaborators

13 papers

quant-ph2024★ 10 cited

Experimental Demonstration of Break-Even for the Compact Fermionic Encoding

Ramil Nigmatullin, Kevin Hemery, Khaldoon Ghanem +8

The utility of solving the Fermi-Hubbard model has been estimated in the billions of dollars. Digital quantum computers can in principle address this task, but have so far been lim…

quant-ph2024★ 7 cited

Practicality of quantum adiabatic algorithm for chemistry applications

Etienne Granet, Khaldoon Ghanem, Henrik Dreyer

Despite its simplicity and strong theoretical guarantees, adiabatic state preparation has received considerably less interest than variational approaches for the preparation of low…

quant-ph2023★ 29 cited

Measuring the Loschmidt amplitude for finite-energy properties of the Fermi-Hubbard model on an ion-trap quantum computer

Kévin Hémery, Khaldoon Ghanem, Eleanor Crane +16

Calculating the equilibrium properties of condensed matter systems is one of the promising applications of near-term quantum computing. Recently, hybrid quantum-classical time-seri…

cond-mat.str-el2023

Generalized Maximum Entropy Methods as Limits of the Average Spectrum Method

Khaldoon Ghanem, Erik Koch

We show that in the continuum limit, the average spectrum method (ASM) is equivalent to maximizing Rényi entropies of order , of which Shannon entropy is the special case .…

quant-ph2023★ 10 cited

Robust Extraction of Thermal Observables from State Sampling and Real-Time Dynamics on Quantum Computers

Khaldoon Ghanem, Alexander Schuckert, Henrik Dreyer

Simulating properties of quantum materials is one of the most promising applications of quantum computation, both near- and long-term. While real-time dynamics can be straightforwa…

physics.comp-ph2022★ 7 cited

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…

physics.comp-ph2021★ 25 cited

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…

physics.comp-ph2020★ 42 cited

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…

physics.chem-ph2020★ 156 cited

The Ground State Electronic Energy of Benzene

Janus J. Eriksen, Tyler A. Anderson, J. Emiliano Deustua +21

We report on the findings of a blind challenge devoted to determining the frozen-core, full configuration interaction (FCI) ground state energy of the benzene molecule in a standar…

physics.comp-ph2020★ 99 cited

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…

physics.comp-ph2020★ 24 cited

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…

cond-mat.str-el2019★ 30 cited

The Average Spectrum Method for Analytic Continuation: Efficient Blocked Modes Sampling and Dependence on Discretization Grid

Khaldoon Ghanem, Erik Koch

The average spectrum method is a promising approach for the analytic continuation of imaginary time or frequency data to the real axis. It determines the analytic continuation of n…

physics.comp-ph2019★ 78 cited

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)…