Fig. 1: All-atom simulations revealed topology-dependent molecular binding memory.

Source data are provided as a Source Data file. a Schematic definition of the lifetime distribution function and binding time autocorrelation function. Bound state is marked in red and unbound in gray. b Hydrogen bonding BAFs of water and ethanol in systems of different dimensions (1D to 3D from the bottom to the top). All systems exhibit long-time tails that can be fitted to a universal power law of \({t}^{-D/2}\), where D represents the dimensionality of the system. The fitted scaling exponents and their corresponding standard errors are shown in the figure. All fittings were performed over a consistent time window ranging from 500 to 14,000 ps, covering systems from 1D to 3D.