Programmable quantum simulators and quantum computers are opening unprecedented
opportunities for exploring and exploiting the properties of highly entangled complex …

Recent advances in quantum computing devices have brought attention to hybrid quantum-
classical algorithms like the variational quantum eigensolver (VQE) as a potential route to …

The accurate estimation of quantum observables is a critical task in science. With progress
on the hardware, measuring a quantum system will become increasingly demanding …

Estimation of the energy of quantum many-body systems is a paradigmatic task in various
research fields. In particular, efficient energy estimation may be crucial in achieving a …

As the year-to-year gains in speeds of classical computers continue to taper off,
computational chemists are increasingly examining quantum computing as a possible route …

Estimation of expectation values of incompatible observables is an essential practical task in
quantum computing, especially for approximating energies of chemical and other many …

We present a quantum-classical hybrid algorithm for calculating the ground state and its
energy of the quantum many-body Hamiltonian by proposing an adaptive construction of a …

We develop a quantum-classical hybrid algorithm to calculate the analytical second-order
derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE) …

Computations of chemical systems' equilibrium properties and non-equilibrium dynamics
have been suspected of being a" killer app" for quantum computers. This review highlights …

Introducing an active space approximation is inevitable for the quantum computations of
chemical systems. However, this approximation ignores the electron correlations related to …