Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations

Heidari, M., Kremer, K., Golestanian, R., Potestio, R., Cortes-Huerto, R.

2020MPG.PuRe (Max Planck Society)42 citationsOpen Access PDF

Abstract

Author: Heidari, Maziar et al.; Genre: Journal Article; Published online: 2020-05-19; Open Access; Title: Open-boundary Hamiltonian adaptive resolution. From grand canonical to non-equilibrium molecular dynamics simulations

Topics & Concepts

Molecular dynamicsHamiltonian (control theory)Boundary value problemPhysicsBoundary (topology)Statistical physicsClassical mechanicsMathematicsMathematical analysisQuantum mechanicsMathematical optimizationNanopore and Nanochannel Transport StudiesQuantum, superfluid, helium dynamicsMaterial Dynamics and Properties