Computer simulation of fluid phase transitions

The goal of accurately locating fluid phase boundaries by means of computer simulation is hampered by difficulties associated with sampling both coexisting phases in a single simulation. We explain the background to these difficulties and describe how they can be tackled using a synthesis of biased Monte Carlo sampling and histogram extrapolation methods, in conjunction with a standard fluid simulation algorithm. The combined approach provides a powerful method for tracing fluid phase boundaries. (C) 2001 American Association of Physics Teachers.