Hybrid QSCI method with LCNot-UCCSD ansatz and RBM-based configuration recovery enables NISQ-era molecular simulations, demonstrated on small molecules and DMET-embedded protein-ligand systems.
J., Whaley, K
3 Pith papers cite this work, alongside 43 external citations. Polarity classification is still indexing.
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representative citing papers
Chemical properties and symmetries, not variational energy, should guide UHF trial selection for ph-AFQMC on iron-sulfur clusters, yielding accurate energies despite suboptimal sampling and bias compensation.
Using DMET to fragment molecules and SQD to solve the fragments on IBM hardware, the authors report ground-state energies for eight ligand-like molecules that agree with DMET-FCI to within about 10⁻⁶ Hartree.
citing papers explorer
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Bridging the NISQ and Fault-Tolerant Regimes: Generative-ML-Assisted Quantum Selected CI for Molecular Simulations
Hybrid QSCI method with LCNot-UCCSD ansatz and RBM-based configuration recovery enables NISQ-era molecular simulations, demonstrated on small molecules and DMET-embedded protein-ligand systems.
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Selecting optimal unrestricted Hartree-Fock trial wavefunctions for phaseless auxiliary-field quantum Monte Carlo: Accuracy and limitations in modeling three iron-sulfur clusters
Chemical properties and symmetries, not variational energy, should guide UHF trial selection for ph-AFQMC on iron-sulfur clusters, yielding accurate energies despite suboptimal sampling and bias compensation.
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Quantum Simulation of Ligand-like Molecules through Sample-based Quantum Diagonalization in Density Matrix Embedding Framework
Using DMET to fragment molecules and SQD to solve the fragments on IBM hardware, the authors report ground-state energies for eight ligand-like molecules that agree with DMET-FCI to within about 10⁻⁶ Hartree.