Quantum Chemistry in the Age of Quantum Computing

Abstract

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging and complex landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry, such as the electronic structure of molecules. In the past two decades, significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This Review provides an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing and quantum computing researchers who would like to explore applications in quantum chemistry.

Affiliated Institutions

• Macquarie University AU
• University of Toronto CA
• Harvard University US
• Intel (United States) US
• University of Waterloo CA
• Zapata (United States) US
• Canadian Institute for Advanced Research CA
• Massachusetts Institute of Technology US
• Czech Academy of Sciences, J. Heyrovský Institute of Physical Chemistry CZ

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