(ScienceDaily) Researchers at Osaka City University have created a quantum algorithm that removes spin contaminants while making chemical calculations on quantum computers. This allows for predictions of electronic and molecular behavior with degrees of precision not achievable with classical computers and paves the way for practical quantum computers to become a reality.
One of the most anticipated applications of quantum computers is electronic structure simulations of atoms and molecules,” said paper authors Kenji Sugisaki, Lecturer and Takeji Takui, Professor Emeritus in the Department of Chemistry and Molecular Materials Science in Osaka City University’s Graduate School of Science.
Quantum chemical calculations are ubiquitous across scientific disciplines, including pharmaceutical therapy development and materials research. All of the calculations are based on solving physicist Erwin Schrödinger’s equation, which uses electronic and molecular interactions that result in a particular property to describe the state of a quantum-mechanical system.

0