pith. sign in

arxiv: cond-mat/0312438 · v3 · submitted 2003-12-17 · ❄️ cond-mat.soft · cond-mat.stat-mech· physics.chem-ph

Local Molecular Dynamics with Coulombic Interaction

classification ❄️ cond-mat.soft cond-mat.stat-mechphysics.chem-ph
keywords dynamicsmolecularalgorithmcoulombdegreeselectrodynamicequationsfield
0
0 comments X
read the original abstract

We propose a local, O(N) molecular dynamics algorithm for the simulation of charged systems. The long ranged Coulomb potential is generated by a propagating electric field that obeys modified Maxwell equations. On coupling the electrodynamic equations to an external thermostat we show that the algorithm produces an effective Coulomb potential between particles. On annealing the electrodynamic degrees of freedom the field configuration converges to a solution of the Poisson equation much like the electronic degrees of freedom approach the ground state in ab-initio molecular dynamics.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.