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 re ne, and perhaps even one day design, new compounds of scienti c and industrial importance. However, building a suggestedciently large quantum computer will be a dicult scienti c 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 eld 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 eld.

中文翻译：

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量子计算化学

量子计算最有希望的应用之一是解决经典的难解决的化学问题。这可能有助于回答有关以下现象的未解决问题：高温超导，固态物理学，过渡金属催化或某些生化反应。反过来，这种加深的了解可能会帮助我们重新思考，甚至​​有一天甚至可以设计出具有科学和工业重要性的新化合物。然而，建立一个建议的科学的大量子计算机将是一项艰巨的科学挑战。结果，应该以较少的量子资源解决这些问题的发展应该被认为是非常重要的。在这个潜在的实用程序的驱动下，量子计算化学作为一种跨学科领域正在迅速兴起，这需要对量子计算和计算化学都有知识。这篇综述提供了对计算化学和量子计算的全面介绍，弥合了当前的知识鸿沟。我们回顾了该领域的主要发展，特别关注近期量子计算。提供了关键方法的说明，明确说明了如何将化学问题映射到量子计算机上并加以解决。我们以对这一新兴领域的展望结束。提供了关键方法的说明，明确说明了如何将化学问题映射到量子计算机上并进行解决。我们以对这一新兴领域的展望结束。提供了关键方法的说明，明确说明了如何将化学问题映射到量子计算机上并进行解决。我们以对这一新兴领域的展望结束。