摘要
We introduce a method for computing the Helmholtz free energy using the flow matching technique. Unlike previous work that utilized flow-based models for variational free energy calculations, this method provides bounds for free energy estimation based on targeted free energy perturbation by performing calculations on samples from both ends of the mapping. We demonstrate applications of the present method by estimating the free energy of a classical Coulomb gas in a harmonic trap.
作者
赵辂
王磊
Lu Zhao;Lei Wang(Institute of Physics,Chinese Academy of Sciences,Beijing 100190,China;University of Chinese Academy of Sciences,Beijing 100049,China;Songshan Lake Materials Laboratory,Dongguan 523808,China)
基金
supported by the Strategic Priority Research Program of Chinese Academy of Sciences (Grant Nos. XDB0500000 and XDB30000000)
the National Natural Science Foundation of China (Grant Nos. 92270107, 12188101, 12122103,T2225018, and T2121001)。
