- Nose-Hoover chains thermostat/barostat
- TTM2, TTM3 and TTM4 water models
- PIMD/Replica-Exchange
- Key-Value parser in FORTRAN (likely 90 or maybe 95)
- A script to list possible permutations of the like atoms in simple molecule(s)
- A script for AMBER to DL_POLY conversion
- Perl script for numerical Hessian calculation using DL_POLY

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