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在量子计算时代,基于碎片分子轨道的变量量子自身溶解器用于量子化学

Hocheol Lim1, Doo Hyung Kang2, Jeonghoon Kim3

  • 1Bioinformatics and Molecular Design Research Center (BMDRC), Incheon, Republic of Korea. ihc0213@yonsei.ac.kr.

Scientific reports
|January 29, 2024
PubMed
概括

一个新的碎片分子轨道/变量量子Eigensolver (FMO/VQE) 算法增强了量子化学模拟. 这种方法提高了复杂分子分析的可扩展性和准确性,使用更少的量子比特.

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