As we begin to reach the limits of classical computing, quantum computing has emerged as
a technology that has captured the imagination of the scientific world. While for many years …

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 computing promises to be the next disruptive technology, with numerous possible
applications and implications for organizations and markets. Quantum computers exploit …

Quantum simulations of chemistry in first quantization offer some important advantages over
approaches in second quantization including faster convergence to the continuum limit and …

Phase estimation is a quantum algorithm for measuring the eigenvalues of a Hamiltonian.
We propose and rigorously analyze a randomized phase estimation algorithm with two …

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 …

Near-term quantum computers are expected to facilitate material and chemical research
through accurate molecular simulations. Several developments have already shown that …

Quantum chemistry simulations of some industrially relevant molecules are reported,
employing variational quantum algorithms for near-term quantum devices. The energies and …

Transcorrelated methods provide an efficient way of partially transferring the description of
electronic correlations from the ground-state wave function directly into the underlying …

In this work, we propose a quantum unitary downfolding formalism based on the driven
similarity renormalization group (QDSRG) that may be combined with quantum algorithms …