摘要
The ability to accurately simulate the time evolu-tion of quantum systems stands as a cornerstone of modern molecular science.It provides the essential mechanistic bridge between a system’s microscopic structure and its macroscopic function,a challenge first envisioned by Feynman.The central difficulty,and the unifying theme of this Special Topic,is the problem of“complexity”:a multifaceted challenge arising from the interplay of strongly coupled electronic and vibrational degrees of freedom,quantum statistics,and the non-trivial,often non-Markovian,memory effects exerted by a surrounding environment.
