January 28, 2020 | Sam McArdle, Suguru Endo, Alán Aspuru-Guzik, Simon C. Benjamin, Xiao Yuan
Quantum computational chemistry is emerging as an interdisciplinary field that combines quantum computing and computational chemistry to solve classically intractable chemistry problems. This review provides a comprehensive introduction to both computational chemistry and quantum computing, focusing on near-term quantum computation. It highlights the major developments in this area, including methods for mapping chemical problems onto quantum computers and solving them. The review also discusses the challenges and potential of quantum computational chemistry, emphasizing the importance of reducing resource requirements and mitigating noise in non-error-corrected quantum computers. Despite the rapid growth of the field, significant challenges remain, such as building a large-scale quantum computer and developing efficient algorithms. The review concludes with an outlook on the future of quantum computational chemistry, emphasizing the potential for solving complex chemical problems and advancing scientific and industrial applications.Quantum computational chemistry is emerging as an interdisciplinary field that combines quantum computing and computational chemistry to solve classically intractable chemistry problems. This review provides a comprehensive introduction to both computational chemistry and quantum computing, focusing on near-term quantum computation. It highlights the major developments in this area, including methods for mapping chemical problems onto quantum computers and solving them. The review also discusses the challenges and potential of quantum computational chemistry, emphasizing the importance of reducing resource requirements and mitigating noise in non-error-corrected quantum computers. Despite the rapid growth of the field, significant challenges remain, such as building a large-scale quantum computer and developing efficient algorithms. The review concludes with an outlook on the future of quantum computational chemistry, emphasizing the potential for solving complex chemical problems and advancing scientific and industrial applications.