Hybrid particle-field molecular dynamics simulations: Parallelization and benchmarks

Hybrid Particle-Field Coarse-Grained Models for Biological Phospholipids

(2011) Antonio De Nicola et al.   Journal of Chemical Theory and Computation

Pressure calculation in hybrid particle-field simulations

(2010) Giuseppe Milano et al.   JOURNAL OF CHEMICAL PHYSICS

Implementation of Molecular Dynamics and Its Extensions with the Coarse-Grained UNRES Force Field on Massively Parallel Systems: Toward Millisecond-Scale Simulations of Protein Structure, Dynamics, and Thermodynamics

(2010) Adam Liwo et al.   Journal of Chemical Theory and Computation

Software components for parallel multiscale simulation: an example with LAMMPS

(2009) Benjamin FrantzDale et al.   ENGINEERING WITH COMPUTERS

Hybrid particle-field molecular dynamics simulations for dense polymer systems

(2009) Giuseppe Milano et al.   JOURNAL OF CHEMICAL PHYSICS

Accelerating molecular dynamic simulation on graphics processing units

(2009) Mark S. Friedrichs et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

The MARTINI Coarse-Grained Force Field: Extension to Proteins

(2008) Luca Monticelli 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

Hexagonally Perforated Lamella-to-Cylinder Transition in a Diblock Copolymer Thin Film under an Electric Field

(2008) Dung Q. Ly et al.   MACROMOLECULES

Monte Carlo Simulations of a Coarse Grain Model for Block Copolymers and Nanocomposites

(2008) François A. Detcheverry et al.   MACROMOLECULES

Hierarchical Assembly of Nanoparticle Superstructures from Block Copolymer-Nanoparticle Composites

(2008) Huiman Kang 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