Molecular dynamics with a variable number of molecules
- 1 January 1991
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 72 (1) , 169-175
- https://doi.org/10.1080/00268979100100111
Abstract
A computational demonstration of a form of constant-chemical-potential molecular dynamics shows the feasibility of the proposed method. The technique is based on using a Lagrangian for a system that includes extension variables to couple the number of particles with the chemical potential and auxiliary variables allowing for the insertion of new particles and the destruction of existing ones. Density dependence, equilibrium and non-equilibrium properties are considered.Keywords
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