COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
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The paper proposes a three-axis framework to organize hybrid quantum-classical DFT approaches and shows embedding methods suit current noisy hardware better than linear algebra speedups.
A teleportation-based parallelization architecture for neutral-atom quantum error correction delivers up to 3x speedup over extractor methods at fixed space cost and enables simulated quantum advantage at 11,495 atoms and 15-hour runtime.
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.
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.
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.
A review summarizing superconducting qubit types, DiVincenzo criteria implementations, coherence limits from defects, and large-scale integration strategies for quantum computing.
citing papers explorer
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Absorbing Many-Body Correlations into Core-Optimized Orbitals
COO co-optimizes orbitals with TrimCI to absorb many-body correlations into the basis, cutting determinant count by orders of magnitude for iron-sulfur clusters versus localized bases or DMRG.
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Hybrid Quantum-Classical Density Functional Theory: A Structured Framework
The paper proposes a three-axis framework to organize hybrid quantum-classical DFT approaches and shows embedding methods suit current noisy hardware better than linear algebra speedups.
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Architecting Early Fault Tolerant Neutral Atoms Systems with Quantum Advantage
A teleportation-based parallelization architecture for neutral-atom quantum error correction delivers up to 3x speedup over extractor methods at fixed space cost and enables simulated quantum advantage at 11,495 atoms and 15-hour runtime.
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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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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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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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Review of Superconducting Qubit Devices and Their Large-Scale Integration
A review summarizing superconducting qubit types, DiVincenzo criteria implementations, coherence limits from defects, and large-scale integration strategies for quantum computing.