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Efficient implementation of periodic boundary conditions in Monte Carlo simulation

Dzmitry V Shakhno1, Aleh V Shakhno2, Eugene Paulechka3

  • 1Institute of Physical Organic Chemistry, National Academy of Sciences of Belarus, 13 Surganova Street, Minsk, 220072, Belarus.

Journal of Computational Chemistry
|December 20, 2018
PubMed

Keywords:
Monte Carlointeger arithmeticmolecular simulationperiodic boundary conditionsrectangular box

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