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

Quantum locality and equilibrium properties in low-temperature parahydrogen: A multiscale simulation study

(2012) R. Potestio et al.   JOURNAL OF CHEMICAL PHYSICS

Structure Formation of Toluene around C60: Implementation of the Adaptive Resolution Scheme (AdResS) into GROMACS

(2012) Sebastian Fritsch et al.   Journal of Chemical Theory and Computation

A reference implementation of the adaptive resolution scheme in ESPResSo

(2010) Christoph Junghans et al.   COMPUTER PHYSICS COMMUNICATIONS

Coupling different levels of resolution in molecular simulations

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

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

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

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

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

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