Computer simulations of liquid phases require an initial configuration from which to begin. The preparation of such an initial configuration or ‘snapshot’ often involves the melting of a solid phase. This melting is usually undertaken by heating the system at low pressure, followed by a lengthy re-compression and cooling once the melt has formed. This note looks at a novel technique to produce a liquid phase from a perfect crystal using a standard Monte Carlo simulation code.  2005 Elsevier B.V. All rights reserved.
['Carl McBride', 'Carlos Vega', 'Eduardo Sanz']
Non-Markovian melting: a novel procedure to generate initial liquid like phases for small molecules for use in computer simulation studies