N-2

The 'N2' dataset/benchmark contains molecular data used to evaluate the accuracy of approximations to the convex set of $N$-representable two-electron reduced density matrices (2-RDMs) in computational chemistry.

Papers using N-2 (12)

Chemistry Beyond the Scale of Exact Diagonalization on a Quantum-Centric Supercomputer2024 · 24 citesAuxiliary-field quantum Monte Carlo method with quantum selected configuration interaction2025 · 10 citesMultireference error mitigation for quantum computation of chemistry2025 · 4 citesA Neural-Network-Based Selective Configuration Interaction Approach to Molecular Electronic Structure2024 · 2 citesMolecular Properties in Quantum-Classical Auxiliary-Field Quantum Monte Carlo: Correlated Sampling with Application to Accurate Nuclear Forces2025 · 1 citesDirect Variational Calculation of Two-Electron Reduced Density Matrices via Semidefinite Machine Learning2026Chemically decisive benchmarks on the path to quantum utility2026A Deterministic Framework for Neural Network Quantum States in Quantum Chemistry2026Multistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energies2025Electronic Structure Theory with Molecular Point Group Symmetries on Quantum Annealers2025Improved Optimization for the Neural-network Quantum States and Tests on the Chromium Dimer2024 · 14 citesEnhancing the Electron Pair Approximation with Measurements on Trapped Ion Quantum Computers2023