Unbiasing fermionic auxiliary-field quantum Monte Carlo with matrix product state trial wavefunctions

T Jiang, B O'Gorman, A Mahajan, J Lee - Physical Review Research, 2025 - APS
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 Computing Approach to Fixed-Node Monte Carlo Using Classical Shadows

NS Blunt, L Caune… - Journal of Chemical …, 2024 - ACS Publications
Quantum Monte Carlo (QMC) methods are powerful approaches for solving electronic
structure problems. Although they often provide high-accuracy solutions, the precision of …

Self-Refinement of Auxiliary-Field Quantum Monte Carlo via Non-Orthogonal Configuration Interaction

Z Sukurma, M Schlipf, G Kresse - arxiv preprint arxiv:2501.12765, 2025 - arxiv.org
For optimal accuracy, auxiliary-field quantum Monte Carlo (AFQMC) requires trial states
consisting of multiple Slater determinants. We develop an efficient algorithm to select the …