Evaluating a quantum-classical quantum Monte Carlo algorithm with Matchgate shadows
Solving the electronic structure problem of molecules and solids to high accuracy is a major
challenge in quantum chemistry and condensed matter physics. The rapid emergence and …
challenge in quantum chemistry and condensed matter physics. The rapid emergence and …
Walking through Hilbert space with quantum computers
Computations of chemical systems' equilibrium properties and non-equilibrium dynamics
have been suspected of being a" killer app" for quantum computers. This review highlights …
have been suspected of being a" killer app" for quantum computers. This review highlights …
Improved modularity and new features in ipie: Toward even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures
ipie is a Python-based auxiliary-field quantum Monte Carlo (AFQMC) package that has
undergone substantial improvements since its initial release [Malone et al., J. Chem. Theory …
undergone substantial improvements since its initial release [Malone et al., J. Chem. Theory …
Contextual subspace auxiliary-field quantum Monte Carlo: Improved bias with reduced quantum resources
M Kiser, M Beuerle, F Simkovic IV - arXiv preprint arXiv:2408.06160, 2024 - arxiv.org
Using trial wavefunctions prepared on quantum devices to reduce the bias of auxiliary-field
quantum Monte Carlo (QC-AFQMC) has established itself as a promising hybrid approach to …
quantum Monte Carlo (QC-AFQMC) has established itself as a promising hybrid approach to …
A quantum computing approach to fixed-node Monte Carlo using classical shadows
Quantum Monte Carlo (QMC) methods are powerful approaches for solving electronic
structure problems. Although they often provide high-accuracy solutions, the precision of …
structure problems. Although they often provide high-accuracy solutions, the precision of …
GPU-accelerated Auxiliary-field quantum Monte Carlo with multi-Slater determinant trial states
The accuracy of phaseless auxiliary-field quantum Monte Carlo (ph-AFQMC) can be
systematically improved with better trial states. Using multi-Slater determinant trial states, ph …
systematically improved with better trial states. Using multi-Slater determinant trial states, ph …