Quantum simulation of chemical systems is one of the most promising near-term
applications of quantum computers. The variational quantum eigensolver, a leading …

Considering recent advancements and successes in the development of efficient quantum
algorithms for electronic structure calculations—alongside impressive results using machine …

We develop computationally affordable and encoding independent gradient evaluation
procedures for unitary coupled-cluster type operators, applicable on quantum computers …

We present a basis-set-free approach to the variational quantum eigensolver using an
adaptive representation of the spatial part of molecular wave functions. Our approach …

Due to the limitations of present-day quantum hardware, it is especially critical to design
algorithms that make the best possible use of available resources. When simulating …

Quantum-enhanced auxiliary field quantum Monte Carlo (QC-AFQMC) uses output from a
quantum computer to increase the accuracy of its classical counterpart. The algorithm …

Quantum computer provides new opportunities for quantum chemistry. In this article, we
present a versatile, extensible, and efficient software package, named Q $^ 2$ Chemistry, for …

Quantum computers have been significantly advanced in recent years. Offered as cloud
services, quantum computers have become accessible to a broad range of users. Along with …

We propose a quantum error mitigation strategy for the variational quantum eigensolver
(VQE) algorithm. We find, via numerical simulation, that very small amounts of coherent …

Within the last decade much progress has been made in the experimental realization of
quantum computing hardware based on a variety of physical systems. Rapid progress has …