Accelerated chemical space search using a quantum-inspired cluster expansion approach

作者：Hitarth Choubisa, Jehad Abed, Douglas Mendoza, Hidetoshi Matsumura, Masahiko Sugimura, Zhenpeng Yao, Ziyun Wang, Brandon R. Sutherland, Alán Aspuru‐Guzik, Edward H. Sargent · 发表于：Matter · 年份：2022 · DOI：10.1016/j.matt.2022.11.031 · 被引用次数：24 · 研究领域：Machine Learning in Materials Science、Electrocatalysts for Energy Conversion、Computational Drug Discovery Methods