H$_2$O
Emerging21papers using it
2023first seen
The 'H$_2$O' dataset/benchmark is used to evaluate the performance of quantum chemistry methods in predicting molecular properties and behaviors related to water (H$_2$O).
Papers using H$_2$O (21)
- Auxiliary-field quantum Monte Carlo method with quantum selected
configuration interactionMultireference error mitigation for quantum computation of chemistryConstrained Optimization Algorithms for Orbital Optimization in Quantum ChemistryLearning to Rank for Selected Configuration InteractionTowards Chemically Accurate and Scalable Quantum Simulations on IQM Quantum Hardware: A Quantum-HPC Hybrid ApproachVPT2 Calculations of Vibrational Energies of CH3COOC6H4COOH Done in Seconds on a Laptop Using a Machine Learned PotentialChemFit: A concurrent framework for model parametrizationAutomated near-term quantum algorithm discovery for molecular ground statesA Deterministic Framework for Neural Network Quantum States in Quantum ChemistryVariational quantum eigensolver for chemical moleculesMultistate iterative qubit coupled cluster (MS-iQCC): a quantum-inspired, state-averaged approach to ground- and excited-state energiesOrbital Optimization and Neural-Network-Assisted Configuration Interaction Calculations of Rydberg StatesNatural-Orbital-Based Neural Network Configuration InteractionElectronic Structure Theory with Molecular Point Group Symmetries on Quantum AnnealersImproved Optimization for the Neural-network Quantum States and Tests on
the Chromium DimerTowards Efficient Quantum Computing for Quantum Chemistry: Reducing
Circuit Complexity with Transcorrelated and Adaptive Ansatz TechniquesReduced density matrix formulation of quantum linear responseVariational quantum eigensolver for closed-shell molecules with
non-bosonic correctionsQuantum Equation of Motion with Orbital Optimization for Computing
Molecular Properties in Near-Term Quantum ComputingA Journey with THeSeuSS: Automated Python Tool for Modeling IR and Raman
Vibrational Spectra of Molecules and SolidsNuclear Quantum Effects in Liquid Water Are Negligible for Structure but
Significant for Dynamics