Digital quantum computers provide a computational framework for solving the Schrödinger
equation for a variety of many‐particle systems. Quantum computing algorithms for the …

Quantum subspace methods (QSMs) are a class of quantum computing algorithms where
the time-independent Schrödinger equation for a quantum system is projected onto a …

Computational models are an essential tool for the design, characterization, and discovery
of novel materials. Computationally hard tasks in materials science stretch the limits of …

We present an algorithm that uses block encoding on a quantum computer to exactly
construct a Krylov space, which can be used as the basis for the Lanczos method to estimate …

Quantum phase estimation based on qubitization is the state-of-the-art fault-tolerant
quantum algorithm for computing ground-state energies in chemical applications. In this …

The computational description of correlated electronic structure, and particularly of excited
states of many-electron systems, is an anticipated application for quantum devices. An …

Accurate modeling of the response of molecular systems to an external electromagnetic field
is challenging on classical computers, especially in the regime of strong electronic …

Measuring the expectation value of the molecular electronic Hamiltonian is one of the
challenging parts of the variational quantum eigensolver. A widely used strategy is to …

Simulation of electronic structure is one of the most promising applications on noisy
intermediate-scale quantum (NISQ) era devices. However, NISQ devices suffer from a …

We propose to use wave function overlaps obtained from a quantum computer as inputs for
the classical split-amplitude techniques, tailored and externally corrected coupled cluster, to …