The difficulty of simulating quantum systems, well-known to quantum chemists, prompted the idea of quantum computation. One can avoid the steep scaling associated with the exact simulation of increasingly large quantum systems on conventional computers, by mapping the quantum system to another, more controllable one. In this review, we discuss to what extent the ideas in quantum computation, now a well-established field, have been applied to chemical problems. We describe algorithms that achieve significant advantages for the electronic-structure problem, the simulation of chemical dynamics, protein folding, and other tasks. Although theory is still ahead of experiment, we outline recent advances that have led to the first chemical calculations on small quantum information processors.

Lattice protein folding models are a cornerstone of computational biophysics. Although these models are a coarse grained representation, they provide useful insight into the energy landscape of natural proteins. Finding low-energy threedimensional structures is an intractable problem even in the simplest model, the Hydrophobic-Polar (HP) model. Description of protein-like properties are more accurately described by generalized models, such as the one proposed by Miyazawa and Jernigan (MJ), which explicitly take into account the unique interactions among all 20 amino acids. There is theoretical and experimental evidence of the advantage of solving classical optimization problems using quantum annealing over its classical analogue (simulated annealing). In this report, we present a benchmark implementation of quantum annealing for lattice protein folding problems (six different experiments up to 81 superconducting quantum bits). This first implementation of a biophysical problem paves the way towards studying optimization problems in biophysics and statistical mechanics using quantum devices.

Hybrid quantum-classical algorithms provide ways to use noisy intermediate-scale quantum computers for practical applications. Expanding the portfolio of such techniques, we propose a quantum circuit learning algorithm that can be used to assist the characterization of quantum devices and to train shallow circuits for generative tasks. The procedure leverages quantum hardware capabilities to its fullest extent by using native gates and their qubit connectivity. We demonstrate that our approach can learn an optimal preparation of the Greenberger-Horne-Zeilinger states, also known as "cat states". We further demonstrate that our approach can efficiently prepare approximate representations of coherent thermal states, wave functions that encode Boltzmann probabilities in their amplitudes. Finally, complementing proposals to characterize the power or usefulness of near-term quantum devices, such as IBM's quantum volume, we provide a new hardware-independent metric called the qBAS score. It is based on the performance yield in a specific sampling task on one of the canonical machine learning data sets known as Bars and Stripes. We show how entanglement is a key ingredient in encoding the patterns of this data set; an ideal benchmark for testing hardware starting at four qubits and up. We provide experimental results and evaluation of this metric to probe the trade off between several architectural circuit designs and circuit depths on an ion-trap quantum computer.