June 10, 2024
Mitsubishi Chemical Group Corporation
´ºÓêÖ±²¥app
IBM Japan, Ltd.
The Mitsubishi Chemical Group (hereafter, "Mitsubishi Chemical"), ´ºÓêÖ±²¥app (headquartered in Minato, Tokyo, President Kohei Itoh) and IBM Japan, Ltd. (hereafter, "IBM", headquartered in Minato, Tokyo, General Manager Akio Yamaguchi), are pleased to announce the publication of a paper describing the research results of a new computational method for a large-scale and high-accuracy quantum chemistry calculation on quantum computers, a joint project from IBM Quantum Network Hub at ´ºÓêÖ±²¥app Quantum Computing Center, innpj Quantum Information,a world-renowned Nature Research Journal.
Mitsubishi Chemical, ´ºÓêÖ±²¥app and IBM Japan developed approaches to accurately calculate quantum mechanical ground states of large chemical systems, and the approaches are called HTN+QMC method and pseudo-Hadamard test technique; HTN+QMC combines a partitioning method called Hybrid Tensor Network (HTN), with a high-accuracy calculation method called Quantum Monte Carlo (QMC), to calculate the energy of large molecules and solids. The pseudo-Hadamard test technique efficiently calculates the overlap between quantum states from quantum circuits. By applying these methods to quantum chemistry calculations for photochromic model molecules on the gate-based quantum computer IBM Quantum System One, ground state energies were successfully computed as 0.042 ¡À 2.0 milli-Hartree, an accuracy comparable to that of a noiseless simulator.
This research is expected to pave the way for accurate analysis of the physical properties of large-scale molecules and solids, which are beyond the size that can be handled by a stand-alone quantum computer.
We plan to continue research in the area of using quantum computers to accelerate the development of a wide range of new materials.
For further information, please refer to the following PDF file.