H2O Water Molecule Simulation Benchmark
Benchmark for quantum simulation of the water molecule (H2O), computing ground-state energies and potential energy surfaces using VQE. As a triatomic molecule with a non-trivial electronic structure, H2O serves as a step up in complexity from diatomic benchmarks like H2 and LiH. VQE implementations can approximate the ground-state energy with high chemical accuracy on both simulators and NISQ hardware.[1]
- Algorithm: Variational Quantum Eigensolver (VQE)
- Category: chemistry
- Qubits: 14
- Framework: Qiskit Nature, PennyLane
- Hardware: Various (IBM Quantum, simulators)
- Reproducible: Yes
- Published:
- VQE
- water
- chemistry
- ground-state
- potential-energy-surface
What algorithm does H2O Water Molecule Simulation Benchmark use?
H2O Water Molecule Simulation Benchmark uses the Variational Quantum Eigensolver (VQE) algorithm, categorized under chemistry.
Frequently Asked Questions
What is the H2O Water Molecule Simulation Benchmark benchmark?
Benchmark for quantum simulation of the water molecule (H2O), computing ground-state energies and potential energy surfaces using VQE. As a triatomic molecule with a non-trivial electronic structure, H2O serves as a step up in complexity from diatomic benchmarks like H2 and LiH. VQE implementations can approximate the ground-state energy with high chemical accuracy on both simulators and NISQ hardware.
Is H2O Water Molecule Simulation Benchmark reproducible?
Yes, this benchmark is reproducible.