[HTML][HTML] The variational quantum eigensolver: a review of methods and best practices
The variational quantum eigensolver (or VQE), first developed by Peruzzo et al.(2014), has
received significant attention from the research community in recent years. It uses the …
received significant attention from the research community in recent years. It uses the …
Emerging quantum computing algorithms for quantum chemistry
Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …
equation for a variety of many‐particle systems. Quantum computing algorithms for the …
Exploiting symmetry in variational quantum machine learning
Variational quantum machine learning is an extensively studied application of near-term
quantum computers. The success of variational quantum learning models crucially depends …
quantum computers. The success of variational quantum learning models crucially depends …
General parameter-shift rules for quantum gradients
Variational quantum algorithms are ubiquitous in applications of noisy intermediate-scale
quantum computers. Due to the structure of conventional parametrized quantum gates, the …
quantum computers. Due to the structure of conventional parametrized quantum gates, the …
Orbital-optimized pair-correlated electron simulations on trapped-ion quantum computers
Variational quantum eigensolvers (VQE) are among the most promising approaches for
solving electronic structure problems on near-term quantum computers. A critical challenge …
solving electronic structure problems on near-term quantum computers. A critical challenge …
Generalized quantum circuit differentiation rules
O Kyriienko, VE Elfving - Physical Review A, 2021 - APS
Variational quantum algorithms that are used for quantum machine learning rely on the
ability to automatically differentiate parametrized quantum circuits with respect to underlying …
ability to automatically differentiate parametrized quantum circuits with respect to underlying …
Exact electronic states with shallow quantum circuits from global optimisation
HGA Burton, D Marti-Dafcik, DP Tew… - npj Quantum …, 2023 - nature.com
Quantum computers promise to revolutionise molecular electronic simulations by
overcoming the exponential memory scaling. While electronic wave functions can be …
overcoming the exponential memory scaling. While electronic wave functions can be …
Enhancing initial state overlap through orbital optimization for faster molecular electronic ground-state energy estimation
The phase estimation algorithm is crucial for computing the ground-state energy of a
molecular electronic Hamiltonian on a quantum computer. Its efficiency depends on the …
molecular electronic Hamiltonian on a quantum computer. Its efficiency depends on the …
Universal quantum circuits for quantum chemistry
Universal gate sets for quantum computing have been known for decades, yet no universal
gate set has been proposed for particle-conserving unitaries, which are the operations of …
gate set has been proposed for particle-conserving unitaries, which are the operations of …
Variational approaches to constructing the many-body nuclear ground state for quantum computing
We explore the preparation of specific nuclear states on gate-based quantum hardware
using variational algorithms. Large-scale classical diagonalizations of the nuclear shell …
using variational algorithms. Large-scale classical diagonalizations of the nuclear shell …