Semi-bottom-up coarse graining of water based on microscopic simulations

Coupling different levels of resolution in molecular simulations

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

Self-Assembly of Lamellar Lipid−DNA Complexes Simulated by Explicit Solvent Counterion Model

(2010) Lianghui Gao et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Direct construction of mesoscopic models from microscopic simulations

(2010) Huan Lei et al.   PHYSICAL REVIEW E

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

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

Mori–Zwanzig formalism as a practical computational tool

(2009) Carmen Hijón et al.   FARADAY DISCUSSIONS

Systematic coarse-graining of molecular models by the Newton inversion method

(2009) Alexander Lyubartsev et al.   FARADAY DISCUSSIONS

Modeling the nanoscale viscoelasticity of fluids by bridging non-Markovian fluctuating hydrodynamics and molecular dynamics simulations

(2009) Nikolaos K. Voulgarakis et al.   JOURNAL OF CHEMICAL PHYSICS

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

Effects of induced tension and electrostatic interactions on the mechanisms of antimicrobial peptide translocation across lipid bilayer

(2009) Lianghui Gao et al.   Soft Matter

Effective thermostat induced by coarse graining of simple point charge water

(2008) Anders Eriksson et al.   JOURNAL OF CHEMICAL PHYSICS

Concurrent triple-scale simulation of molecular liquids

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

Mesoscopic simulation of entanglements using dissipative particle dynamics: Application to polymer brushes

(2008) Florent Goujon et al.   JOURNAL OF CHEMICAL PHYSICS

Large-Scale Molecular Dynamics Simulations of Self-Assembling Systems

(2008) M. L. Klein et al.   SCIENCE

Tension-induced vesicle fusion: pathways and pore dynamics

(2008) Lianghui Gao et al.   Soft Matter

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