Quantum Chemistry in the Age of Quantum Computing

Квантовая химия в эпоху квантовых вычислений
Alán Aspuru-Guzik, Sukin Sim, Peter D. Johnson, Jonathan Romero, Yudong Cao, Jonathan P. Olson, Matthias Degroote, Mária Kieferová, Ian D. Kivlichan, Tim Menke, Borja Peropadre, Nicolas P. D. Sawaya, Libor Veis
2019-08-30

electronic structurequantum algorithmsquantum chemistryquantum computingquantum simulation
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.
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Classical simulation of quantum systems remains practically challenging despite many approximation methods developed over the past century.
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Quantum computers can leverage superposition and entanglement to efficiently produce accurate results for key quantum chemistry problems like molecular electronic structure.
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Significant advances in quantum computing algorithms and hardware over the past two decades make quantum-based simulation of quantum systems increasingly feasible.
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The Review surveys algorithms and results connecting quantum computing developments to quantum chemistry applications, targeting both quantum chemists and quantum computing researchers.

Quantum computing approaches for simulating quantum chemical systems (quantum computers and algorithms applied to molecular electronic-structure problems)

Algorithms, hardware capabilities, and their applicability/effectiveness for simulating electronic structure and other quantum-chemical problems using quantum computers

Publication Details
Publication Date
2019-08-30
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Authors
Alán Aspuru-Guzik
Sukin Sim
Peter D. Johnson
Jonathan Romero
Yudong Cao
Jonathan P. Olson
Matthias Degroote
Mária Kieferová
Ian D. Kivlichan
Tim Menke
Borja Peropadre
Nicolas P. D. Sawaya
Libor Veis
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