Papers › Tackling the challenge of a huge materials science search space with quantum-inspired annealing
Tackling the challenge of a huge materials science search space with quantum-inspired annealing
Kan Hatakeyama-Sato, Takahiro Kashikawa, Koichi Kimura, Kenichi Oyaizu
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Efficient screening of chemicals is essential for exploring new materials. However, the search space is astronomically large, making calculations with conventional computers infeasible. For example, an N-component system of organic molecules generates >10⁶⁰ᴺ candidates. Here, a quantum-inspired annealing machine is used to tackle the challenge of the large search space. The prototype system extracts candidate chemicals and their composites with desirable parameters, such as melting temperature and ionic conductivity. The system can be at least 10⁴-10⁷ times faster than conventional approaches. Such exponential acceleration is critical for exploring the enormous search space in virtual screening.
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