Deep Mind 21 Functional Does Not Extrapolate to Transition Metal Chemistry
PHYSICAL CHEMISTRY CHEMICAL PHYSICS(2024)
摘要
The development of density functional approximations stands at a crossroads: while machine-learned functionals show potential to surpass their human-designed counterparts, their extrapolation to unseen chemistry lags behind.
更多查看译文
关键词
Materials Discovery
AI 理解论文
溯源树
样例
生成溯源树,研究论文发展脉络
Chat Paper
正在生成论文摘要