Title of article
Mimicking electrostatic interactions with a set of effective charges: a genetic algorithm
Author/Authors
Berardi، نويسنده , , Roberto and Muccioli، نويسنده , , Luca and Orlandi، نويسنده , , Silvia and Ricci، نويسنده , , Matteo and Zannoni، نويسنده , , Claudio، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
6
From page
373
To page
378
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.
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1784252
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