Publication: Towards Quantum Chemistry on a Quantum Computer
Open/View Files
Date
2010
Published Version
Journal Title
Journal ISSN
Volume Title
Publisher
Nature Publishing Group
The Harvard community has made this article openly available. Please share how this access benefits you.
Citation
Lanyon, Benjamin P., James D. Whitfield, Geoff G. Gillett, Michael E. Goggin, Marcelo P. Almeida, Ivan Kassal, Jacob D. Biamonte, et al. 2010. Towards quantum chemistry on a quantum computer. Nature Chemistry 2(2): 106–111.
Research Data
Abstract
Exact first-principles calculations of molecular properties are currently intractable because their computational cost grows exponentially with both the number of atoms and basis set size. A solution is to move to a radically different model of computing by building a quantum computer, which is a device that uses quantum systems themselves to store and process data. Here we report the application of the latest photonic quantum computer technology to calculate properties of the smallest molecular system: the hydrogen molecule in a minimal basis. We calculate the complete energy spectrum to 20 bits of precision and discuss how the technique can be expanded to solve large-scale chemical problems that lie beyond the reach of modern supercomputers. These results represent an early practical step toward a powerful tool with a broad range of quantum-chemical applications.
Description
Other Available Sources
Keywords
theoretical chemistry, physical chemistry
Terms of Use
This article is made available under the terms and conditions applicable to Open Access Policy Articles (OAP), as set forth at Terms of Service