HI-NQS uses a dual-channel autoregressive Transformer NQS inside an iterative sample-diagonalize-update loop to reach chemical accuracy on small molecules and nitrogen active spaces with better determinant scaling than CIPSI.
Robledo-Moreno, M
11 Pith papers cite this work, alongside 24 external citations. Polarity classification is still indexing.
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24
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UNVERDICTED 11roles
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Quantum computed moments method on IBM hardware estimates water dipole moment to 0.03 debye of FCI, outperforming VQE by factor of two in error.
Quantum simulation finds SU(2)-symmetric 2D interactions most resilient to superdiffusion breakdown in generalized Heisenberg models.
New criteria reveal VQE needs fault-tolerant quantum computers due to decoherence and QPE has exponentially suppressed success probability from orthogonality catastrophe in classical input states.
A QAOA-based hybrid method for chance-constrained knapsack problems in insurance achieves performance comparable to classical optimization on IBM quantum hardware with up to 150 qubits.
The authors present Pilot-Quantum, a middleware for adaptive resource management in hybrid quantum-HPC systems, along with execution motifs and a performance modeling toolkit called Q-Dreamer.
Demonstrates combined entanglement forging and sample-based quantum diagonalization on superconducting hardware to calculate energies for hydrogen abstraction in 2,2-diphenyldipropane across active spaces up to 39 electrons and 39 orbitals.
Introduces ghost Gutzwiller quantum embedding for ground-state and spectral simulations of correlated electrons on quantum devices, tested on the infinite-dimensional Hubbard model with error mitigation.
Hybrid quantum workflow on IQM Emerald processor computes -3.52 kcal/mol binding energy for pyridine-phenol complex via QSCI in (10e,10o) space, matching CASCI but underbinding relative to CCSD(T) benchmark of -8.5 to -9.5 kcal/mol.
A synthesis of expert insights from the ADAC Quantum Computing Working Group and member survey on the complementary roles of quantum and classical high-performance computing in future hybrid infrastructures.
Qiskit is an open-source SDK that supports quantum circuit design, optimization at multiple abstraction levels, execution on hardware, and dynamic quantum-classical computations.
citing papers explorer
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An Iterative Dual-Channel Neural Quantum State Algorithm for Selected Configuration Interaction
HI-NQS uses a dual-channel autoregressive Transformer NQS inside an iterative sample-diagonalize-update loop to reach chemical accuracy on small molecules and nitrogen active spaces with better determinant scaling than CIPSI.
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Moments-based quantum computation of the electric dipole moment of molecular systems
Quantum computed moments method on IBM hardware estimates water dipole moment to 0.03 debye of FCI, outperforming VQE by factor of two in error.
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Superdiffusion resilience in Heisenberg Chains with 2D interactions on a quantum processor
Quantum simulation finds SU(2)-symmetric 2D interactions most resilient to superdiffusion breakdown in generalized Heisenberg models.
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Feasibility of performing quantum chemistry calculations on quantum computers
New criteria reveal VQE needs fault-tolerant quantum computers due to decoherence and QPE has exponentially suppressed success probability from orthogonality catastrophe in classical input states.
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A Quantum Approach to Stochastic Optimization in Insurance Underwriting
A QAOA-based hybrid method for chance-constrained knapsack problems in insurance achieves performance comparable to classical optimization on IBM quantum hardware with up to 150 qubits.
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Hybrid Quantum-HPC Middleware Systems for Adaptive Resource, Workload and Task Management
The authors present Pilot-Quantum, a middleware for adaptive resource management in hybrid quantum-HPC systems, along with execution motifs and a performance modeling toolkit called Q-Dreamer.
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Quantum-centric simulation of hydrogen abstraction by sample-based quantum diagonalization and entanglement forging
Demonstrates combined entanglement forging and sample-based quantum diagonalization on superconducting hardware to calculate energies for hydrogen abstraction in 2,2-diphenyldipropane across active spaces up to 39 electrons and 39 orbitals.
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Quantum-Classical Embedding via Ghost Gutzwiller Approximation for Enhanced Simulations of Correlated Electron Systems
Introduces ghost Gutzwiller quantum embedding for ground-state and spectral simulations of correlated electrons on quantum devices, tested on the infinite-dimensional Hubbard model with error mitigation.
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Additive binding energies in asphalt on a quantum processor via quantum-selected configuration interaction (QSCI)
Hybrid quantum workflow on IQM Emerald processor computes -3.52 kcal/mol binding energy for pyridine-phenol complex via QSCI in (10e,10o) space, matching CASCI but underbinding relative to CCSD(T) benchmark of -8.5 to -9.5 kcal/mol.
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The Role of Quantum Computing in Advancing Scientific High-Performance Computing: A perspective from the ADAC Institute
A synthesis of expert insights from the ADAC Quantum Computing Working Group and member survey on the complementary roles of quantum and classical high-performance computing in future hybrid infrastructures.
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Quantum computing with Qiskit
Qiskit is an open-source SDK that supports quantum circuit design, optimization at multiple abstraction levels, execution on hardware, and dynamic quantum-classical computations.