First end-to-end demonstration of quantum error correction integrated with quantum phase estimation to compute molecular hydrogen ground-state energy to 0.001(13) hartree accuracy on Quantinuum H2-2 hardware.
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A commutativity-based dynamic ansatz within DMET enables ground-state simulations of molecules up to 144 qubits using at most 20 qubits at a time with improved accuracy and lower gate counts than standard approaches.
VQE on TFIM up to 27 spins shows hardware-efficient ansätze optimize smoothly but under-capture entanglement, while HVA-type ansätze match ground-state structure better at higher optimization cost.
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.
Noise in LUCJ sampling for QSCI on N2 expands the configuration space beyond the ideal ansatz and, when paired with recovery, produces more accurate CI energies than noiseless sampling.
citing papers explorer
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Quantum Error-Corrected Computation of Molecular Energies
First end-to-end demonstration of quantum error correction integrated with quantum phase estimation to compute molecular hydrogen ground-state energy to 0.001(13) hartree accuracy on Quantinuum H2-2 hardware.
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Advancing Practical Quantum Embedding Simulations via Operator Commutativity Based State Preparation for Complex Chemical Systems
A commutativity-based dynamic ansatz within DMET enables ground-state simulations of molecules up to 144 qubits using at most 20 qubits at a time with improved accuracy and lower gate counts than standard approaches.
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Ans\"atz Expressivity and Optimization in Variational Quantum Simulations of Transverse-field Ising Model Across System Sizes
VQE on TFIM up to 27 spins shows hardware-efficient ansätze optimize smoothly but under-capture entanglement, while HVA-type ansätze match ground-state structure better at higher optimization cost.
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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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Noise and Configuration Recovery Impact on Quantum Selected Configuration Interaction
Noise in LUCJ sampling for QSCI on N2 expands the configuration space beyond the ideal ansatz and, when paired with recovery, produces more accurate CI energies than noiseless sampling.