Osaka City University Develops Quantum Algorithm to Verify Quantum Computing Results
Quantum Chemistry on Quantum Computers
Excerpts and salient points ~
+ Researchers from Osaka City University (OCU) in Japan, Dr. K. Sugisaki, Profs. K. Sato and T. Takui and coworkers have found a novel quantum algorithm enabling us to determine whether quantum chemical calculations performed on quantum computers give correct wave functions as exact solutions of SE in a desired manner. These issues are intractable with any currently available supercomputers. Such a quantum algorithm contributes to the acceleration of implementing practical quantum computers.
+ Quantum computing and quantum information processing technology have attracted attention in recently emerging fields. Among many important and fundamental issues in nowadays science, solving Schroedinger Equation (SE) of atoms and molecules is one of the ultimate goals in chemistry, physics and their related fields. SE is “First Principle” of non-relativistic quantum mechanics, whose solutions termed wave functions can afford any information of electrons within atoms and molecules, predicting their physicochemical properties and chemical reactions.
+ They said, “As Dirac claimed in 1929 when quantum mechanics was established, the exact application of mathematical theories to solve SE leads to equations too complicated to be soluble1. In fact, the number of variables to be determined in the Full-CI method grows exponentially against the system size, and it easily runs into astronomical figures such as exponential explosion. For example, the dimension of the Full-CI calculation for benzene molecule C6H6, in which only 42 electrons are involved, amounts to 1044, which are impossible to be dealt with by any supercomputers…”
Content may have been edited for style and clarity.