Unbiasing fermionic auxiliary-field quantum Monte Carlo with matrix product state trial wavefunctions
In this work, we report, for the first time, an implementation of fermionic auxiliary-field
quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions …
quantum Monte Carlo (AFQMC) using matrix product state (MPS) trial wavefunctions …
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 …
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 …
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 …
Classical Shadows with Improved Median-of-Means Estimation
The classical shadows protocol, introduced by Huang et al.[Nat. Phys. 16, 1050 (2020)],
makes use of the median-of-means (MoM) estimator to efficiently estimate the expectation …
makes use of the median-of-means (MoM) estimator to efficiently estimate the expectation …
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 …