Simulation of the LDL and HDL phases of supercooled liquid water using Molecular Dynamics and Monte

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Simulation of the LDL and HDL phases of
supercooled liquid water using Molecular Dynamics
and Monte Carlo methods.
Introduction
Objective We propose to simulate the LDL and HDL
phases of liquid water at a representative
pressure and temperature for each, using both MD
and MC. The objective is to determine the radial
distribution functions and the spatial density
function to compare the structures of the two
phases with each other, and also to compare the
results of the two methods for a given phase. A
suitable intermolecular potential will be chosen
from the literature. Code We propose to use
the Open Force Field (OFF) code for molecular
dynamics and to modify CLAMPS for the Monte Carlo
simulation.