Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique

Kirkwood–Buff Analysis of Liquid Mixtures in an Open Boundary Simulation

(2012) Debashish Mukherji et al.   Journal of Chemical Theory and Computation

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

Comment on “Adaptive Multiscale Molecular Dynamics of Macromolecular Fluids”

(2011) M. Praprotnik et al.   PHYSICAL REVIEW LETTERS

Coupling different levels of resolution in molecular simulations

(2010) Simón Poblete et al.   JOURNAL OF CHEMICAL PHYSICS

Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?

(2009) Han Wang et al.   EUROPEAN PHYSICAL JOURNAL E

Coupling atomistic and continuum hydrodynamics through a mesoscopic model: Application to liquid water

(2009) Rafael Delgado-Buscalioni et al.   JOURNAL OF CHEMICAL PHYSICS

Versatile Object-Oriented Toolkit for Coarse-Graining Applications

(2009) Victor Rühle et al.   Journal of Chemical Theory and Computation

GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

(2008) Berk Hess et al.   Journal of Chemical Theory and Computation