Carleman linearization approach for chemical kinetics integration toward quantum computation.

ABSTRACT: The Harrow, Hassidim, Lloyd (HHL) algorithm, known as the pioneering algorithm for solving linear equations in quantum computers, is expected to accelerate solving large-scale linear ordinary differential equations (ODEs). To efficiently combine classical and quantum computers for high-cost chemical problems, non-linear ODEs (e.g., chemical reactions) must be linearized to the highest possible accuracy. However, the linearization approach has not been fully established yet. In this study, Carleman linearization was examined to transform nonlinear first-order ODEs of chemical reactions into linear ODEs. Although this linearization theoretically requires the generation of an infinite matrix, the original nonlinear equations can be reconstructed. For the practical use, the linearized system s

SUBMITTER: Akiba T 

PROVIDER: S-EPMC9998465 | biostudies-literature | 2023 Mar

REPOSITORIES: biostudies-literature