Quantum dynamics simulations are a method that allow for more accurately describing natural phenomena by taking into account the quantum effects of nuclei and non-adiabatic effects, which are couplings between electrons and nuclei.

In this joint research, we are working on the development of algorithms for realizing quantum dynamics simulations on quantum computers. When the scale and accuracy of real quantum computers improves in the future, we are able to use the algorithms developed in this joint research to design functional materials that can handle non-adiabatic effects, something difficult to incorporate thus far. This is expected to change the way materials design works, particularly in areas such functional optical materials and catalyst design.