Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
Determining the properties of molecules and materials is one of the premier applications of
quantum computing. A major question in the field is how to use imperfect near-term quantum …
quantum computing. A major question in the field is how to use imperfect near-term quantum …
Solving an Industrially Relevant Quantum Chemistry Problem on Quantum Hardware
L Nützel, A Gresch, L Hehn, L Marti… - Quantum Science …, 2024 - iopscience.iop.org
Quantum chemical calculations are among the most promising applications for quantum
computing. Implementations of dedicated quantum algorithms on available quantum …
computing. Implementations of dedicated quantum algorithms on available quantum …
Accurate quantum-centric simulations of supramolecular interactions
We present the first quantum-centric simulations of noncovalent interactions using a
supramolecular approach. We simulate the potential energy surfaces (PES) of the water and …
supramolecular approach. We simulate the potential energy surfaces (PES) of the water and …
Non-iterative disentangled unitary coupled-cluster based on lie-algebraic structure
M Haidar, O Adjoua, S Baddredine, A Peruzzo… - arXiv preprint arXiv …, 2024 - arxiv.org
Due to their non-iterative nature, fixed Unitary Coupled-Cluster (UCC) ans\" atze are
attractive for performing quantum chemistry Variational Quantum Eigensolver (VQE) …
attractive for performing quantum chemistry Variational Quantum Eigensolver (VQE) …
Towards Efficient Quantum Computation of Molecular Ground State Energies using Bayesian Optimization with Priors over Surface Topology
Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing
molecular ground states and energies on modern quantum computers. These approaches …
molecular ground states and energies on modern quantum computers. These approaches …
Hardware-efficient variational quantum algorithm in a trapped-ion quantum computer
We study a hardware-efficient ansatz tailored for a trapped-ion quantum simulator (HEA-TI),
utilizing single-qubit rotations and global spin-spin interactions to reduce the reliance on …
utilizing single-qubit rotations and global spin-spin interactions to reduce the reliance on …