39 citations · 45 across the 3 of their papers we have counts for
3 papers
physics.chem-ph2023★ 2 cited
The virial theorem with periodic boundary conditions
A. C. Maggs
The virial theorem relates averages of kinetic energy and forces in confined systems. It is widely used to relate stresses in molecular simulation as measured at a boundary and in…
physics.comp-ph2013★ 4 cited
Adding an energy-like conservation law to the leapfrog integrator
A. C. Maggs
The leapfrog integrator is widely used because of its excellent stability in molecular dynamics simulation. This is recognized as being due to the existence of a discrete variation…
cond-mat.stat-mech2001★ 39 cited
Dynamics of a Local Algorithm for Simulating Coulomb Interactions
A. C. Maggs
Charged systems interacting via Coulomb forces can be efficiently simulated by introducing a local, diffusing degree of freedom for the electric field. This paper formulates the co…