Work

Chemistry on Quantum Computers with Virtual Quantum Subspace Expansion

Year: 2020

Type: article

Abstract: Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion ( Takeshita, T.; Phys. Rev. X 2020, 10, 011004, 10.1103/PhysRevX.10.011004 ) can achieve full basis accuracy for hydrogen and lithium dimers, comparable to simulations requiring 20 or more qubits. We developed an approach to minimize the impact of experimental noise on the stability of the generalized eigenvalue problem, a crucial component of the quantum algorithm. In addition, we were able to obtain an accurate potential energy curve for the nitrogen dimer in a quantum simulation on a classical computer.

Source: Journal of Chemical Theory and Computation

DOI: 10.1021/acs.jctc.0c00447

Authors: Miroslav Urbanek, Daan Camps, Roel Van Beeumen, Wibe A. de Jong

Institution: Lawrence Berkeley National Laboratory

Language: English

Topic: Quantum Computing Algorithms and Architecture

Subfield: Artificial Intelligence

Field: Computer Science

Domain: Physical Sciences

Open Access status: green

Funders: U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research