Quantum computational chemistry

30 Aug 2018  ·  Sam McArdle, Suguru Endo, Alan Aspuru-Guzik, Simon Benjamin, Xiao Yuan ·

One of the most promising applications of quantum computing is solving classically intractable chemistry problems. As a result, quantum computational chemistry is rapidly emerging as an interdisciplinary field requiring knowledge of both quantum information and computational chemistry. This work provides a comprehensive introduction to both fields, bridging the current knowledge gap. We review the key developments in this area, with a focus on near-term quantum computation. We illustrate the methods discussed by explicitly demonstrating how to map chemical problems onto a quantum computer, and solve them. We conclude with an outlook for this nascent field.

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