Advancements in multi scale modeling: Adaptive resolution simulations and related issues

An introduction to the problem of bridging quantum and classical dynamics

(2015) S. Bonella et al.   European Physical Journal-Special Topics

Adaptive resolution simulation in equilibrium and beyond

(2015) H. Wang et al.   European Physical Journal-Special Topics

Open boundary molecular dynamics

(2015) R. Delgado-Buscalioni et al.   European Physical Journal-Special Topics

An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale

(2014) J. McCarty et al.   JOURNAL OF CHEMICAL PHYSICS

Adaptive Resolution Simulation of MARTINI Solvents

(2014) Julija Zavadlav et al.   Journal of Chemical Theory and Computation

Hamiltonian Adaptive Resolution Simulation for Molecular Liquids

(2013) Raffaello Potestio et al.   PHYSICAL REVIEW LETTERS

Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion

(2012) Han Wang et al.   Journal of Chemical Theory and Computation

Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir

(2012) S. Fritsch et al.   PHYSICAL REVIEW LETTERS

First-principle approach to rescale the dynamics of simulated coarse-grained macromolecular liquids

(2011) I. Lyubimov et al.   PHYSICAL REVIEW E

Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling

(2010) A. B. Poma et al.   PHYSICAL REVIEW LETTERS

Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution

(2007) Matej Praprotnik et al.   Annual Review of Physical Chemistry