Molecular dynamics with a variable number of molecules Academic Article

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. 1991 Taylor & Francis Group, LLC.

authors

• Cagin, Tahir

published proceedings

• Molecular Physics

author list (cited authors)

• ain, T., & Pettitt, B. M.

citation count

• 88

complete list of authors

• Çağin, Tahir||Pettitt, B Montgomery

publication date

• January 1991

publisher

• Taylor & Francis  Publisher

published in

• Molecular Physics: An International Journal at the Interface Between Chemistry and Physics  Journal

keywords

• Brain Disorders

Digital Object Identifier (DOI)

• 10.1080/00268979100100111

start page

• 169

end page

• 175

volume

• 72

issue

• 1