
ALT A visualization of the Periodic Dynamic Voronoi Metropolis Sampling process. Panel (a) displays a rectangle split into regions of varying colors, which represents a periodic Voronoi diagram generated from the sites. The diagram partitions the space and constrains sampling to specific cells (red regions) and black circles represent the sites. Above, a plot illustrates the spatial probability distribution for electrons in x, y, and z dimensions where red circles represent electron’s walkers. An arrow points to panel (b), which provides a sketch of the 2D periodic COM calculation algorithm with marks for walkers (blue dots), incorrect COM (red x’s), and correct COM (red stars). Below are visuals of a longitudinal cylinder and a transverse cylinder, which give rise to the position expectation of the walkers, XCOM and YCOM. These form a new site and complete an iteration as indicated by an arrow pointing back towards the periodic Voronoi diagram.















































