One of the most promising suggested applications of quantum computing is
solving classically intractable chemistry problems. This may help to answer
unresolved questions about phenomena like: high temperature superconductivity,
solid-state physics, transition metal catalysis, or certain biochemical
reactions. In turn, this increased understanding may help us to refine, and
perhaps even one day design, new compounds of scientific and industrial
importance. However, building a sufficiently large quantum computer will be a
difficult scientific challenge. As a result, developments that enable these
problems to be tackled with fewer quantum resources should be considered very
important. Driven by this potential utility, quantum computational chemistry is
rapidly emerging as an interdisciplinary field requiring knowledge of both
quantum computing and computational chemistry. This review provides a
comprehensive introduction to both computational chemistry and quantum
computing, bridging the current knowledge gap. We review the major developments
in this area, with a particular focus on near-term quantum computation.
Illustrations of key methods are provided, explicitly demonstrating how to map
chemical problems onto a quantum computer, and solve them. We conclude with an
outlook for this nascent field.

量子计算对于解决经典化学难题具有巨大潜力，但大型量子计算机的建设依然具有挑战性，因此需要更少的量子资源来解决这些问题。基于此潜在的实用价值，量子计算化学正在快速崛起，这篇综述介绍了量子计算和计算化学的基础知识，并重点介绍了近期量子计算化学的主要进展及其关键方法，并探讨了该领域的未来。