Trefoil knot made of a DNA: 1240x1370.
A slab of TTM3-F water simulated using path-integral MD: 2048x2048.
An illustration of the SFG technique (wave-lengths are not to scale): 1600x900.
Another cage/prism picture: 1536x1536.
Minimum energy path connecting the prism and the cage isomers of the water hexamer 852x480 (14Mb). The coordinates and the energy can be found here; the code (using TTM3-F potential) is available here.
Path integral molecular dynamics simulation of the water dimer: 800x450 (42Mb).
(c) Volodymyr Babin, 2008-2013