Coupling different levels of resolution in molecular simulations

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

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

Concurrent triple-scale simulation of molecular liquids

(2008) Rafael Delgado-Buscalioni et al.   JOURNAL OF CHEMICAL PHYSICS

Conservative Algorithm for an Adaptive Change of Resolution in Mixed Atomistic/Coarse-Grained Multiscale Simulations

(2008) Andreas Heyden 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

Competing Adsorption between Hydrated Peptides and Water onto Metal Surfaces: From Electronic to Conformational Properties

(2008) Luca M. Ghiringhelli et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

CO oxidation on Pd(100) at technologically relevant pressure conditions: First-principles kinetic Monte Carlo study

(2008) Jutta Rogal et al.   PHYSICAL REVIEW B

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

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

Transport properties controlled by a thermostat: An extended dissipative particle dynamics thermostat

(2007) Christoph Junghans et al.   Soft Matter