Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing
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 a...
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Online Access: | https://doi.org/10.1002/aisy.202000209 |
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doaj-a2eee5898b6b441193a2224d4615fb072021-04-21T23:08:06ZengWileyAdvanced Intelligent Systems2640-45672021-04-0134n/an/a10.1002/aisy.202000209Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired AnnealingKan Hatakeyama-Sato0Takahiro Kashikawa1Koichi Kimura2Kenichi Oyaizu3Department of Applied Chemistry Waseda University Tokyo 169-8555 JapanFujitsu Laboratories Ltd. Kanagawa 211-8588 JapanFujitsu Laboratories Ltd. Kanagawa 211-8588 JapanDepartment of Applied Chemistry Waseda University Tokyo 169-8555 JapanEfficient 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 104–108 times faster than conventional approaches. Such dramatic acceleration is critical for exploring the enormous search space in virtual screening of materials.https://doi.org/10.1002/aisy.202000209lithium-ion batteriesmachine learningmaterials informaticsorganic functional materialsquantum-inspired annealing |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Kan Hatakeyama-Sato Takahiro Kashikawa Koichi Kimura Kenichi Oyaizu |
spellingShingle |
Kan Hatakeyama-Sato Takahiro Kashikawa Koichi Kimura Kenichi Oyaizu Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing Advanced Intelligent Systems lithium-ion batteries machine learning materials informatics organic functional materials quantum-inspired annealing |
author_facet |
Kan Hatakeyama-Sato Takahiro Kashikawa Koichi Kimura Kenichi Oyaizu |
author_sort |
Kan Hatakeyama-Sato |
title |
Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing |
title_short |
Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing |
title_full |
Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing |
title_fullStr |
Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing |
title_full_unstemmed |
Tackling the Challenge of a Huge Materials Science Search Space with Quantum‐Inspired Annealing |
title_sort |
tackling the challenge of a huge materials science search space with quantum‐inspired annealing |
publisher |
Wiley |
series |
Advanced Intelligent Systems |
issn |
2640-4567 |
publishDate |
2021-04-01 |
description |
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 104–108 times faster than conventional approaches. Such dramatic acceleration is critical for exploring the enormous search space in virtual screening of materials. |
topic |
lithium-ion batteries machine learning materials informatics organic functional materials quantum-inspired annealing |
url |
https://doi.org/10.1002/aisy.202000209 |
work_keys_str_mv |
AT kanhatakeyamasato tacklingthechallengeofahugematerialssciencesearchspacewithquantuminspiredannealing AT takahirokashikawa tacklingthechallengeofahugematerialssciencesearchspacewithquantuminspiredannealing AT koichikimura tacklingthechallengeofahugematerialssciencesearchspacewithquantuminspiredannealing AT kenichioyaizu tacklingthechallengeofahugematerialssciencesearchspacewithquantuminspiredannealing |
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1721515243488673792 |