Case: JSR Corporation

Basic methods for quantum chemical calculations

In this joint research, we are developing basic methods for utilizing quantum computers for quantum chemical calculations and materials development, with the anticipation that a quantum computer of practical size and accuracy will be realized within a few years. Thus far, we have developed algorithms for more performant quantum chemical calculations (orbital optimized unitary-coupled cluster, OO-UCC)*1 and an algorithm for calculating energy in periodic systems*2, with these results being published in scientific journals.

※1: Physical. Review Research 2, 033421 (2020)
※2: Physical. Review Research 4, 013052 (2021)

2024/12/20

Category: Joint_Research
Category: Joint_Research
Year: 2024