Author/Authors :
Berardi، نويسنده , , Roberto and Muccioli، نويسنده , , Luca and Orlandi، نويسنده , , Silvia and Ricci، نويسنده , , Matteo and Zannoni، نويسنده , , Claudio، نويسنده ,
Abstract :
We present a genetic algorithm apt to determine a set of effective charges that approximate the electrostatic field around a molecule. We show that these charges provide a reasonably good approximation to the pair electrostatic interaction and argue that the method should provide a valuable tool in computer simulations of condensed phases, particularly liquid crystals.
