Lennard-jones and charge

we (SciVis, developers of BioBlender) noticed that in the physics options there is the possibility to introduce Lennard-Jones potential and charge to things (atoms). However, it is not clear how these features can be used: with molecules of many (thousands) atoms, these properties must be attributed to each atom separately, from a library…
Does anybody know who introduced these features (probably a physicist or chemist), so we can get in touch and have some indications?