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Quantum computational chemistry
Reviews of Modern Physics ( IF 38.296 ) Pub Date : 
Sam McArdle, Suguru Endo, Alán Aspuru-Guzik, Simon C. Benjamin, and Xiao Yuan

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.
更新日期:2019-12-13

 

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