National University Corporation Kyushu University

Published purpose

The Project uses quantum computing to solve a complex problem in molecular solvation theory, which is a fundamental concept in various scientific disciplines. Solvation influences chemical reactions, biomolecular interactions, and material stability. The Ornstein-Zernike (OZ) equation is a cornerstone of solvation theory, which helps us understand the spatial distribution of solvent molecules around a solute. The OZ equation is similar to the quantum-mechanical many-body Dyson equation, which bridges classical and quantum approaches in the study of solvation. By using quantum algorithms to solve the OZ equation, the team can improve the accuracy and speed of solvation predictions. This connection between these equations demonstrates the interdisciplinary nature of solvation research and the potential for quantum approaches to enhance insights into this critical area of science. The Project employs the quantum Fourier Transform to address an OZ type equation involving convolution