Automatic coarse graining of polymers
- 1 May 2004
- Vol. 45 (11) , 3869-3876
- https://doi.org/10.1016/j.polymer.2003.11.053
Abstract
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This publication has 52 references indexed in Scilit:
- Scale-Hopping in Computer Simulations of PolymersSoft Materials, 2002
- Mapping Atomistic to Coarse-Grained Polymer Models Using Automatic Simplex Optimization To Fit Structural PropertiesMacromolecules, 2001
- Local Structure and Dynamics of trans-Polyisoprene OligomersMacromolecules, 2001
- Local Reorientation Dynamics of Semiflexible Polymers in the MeltMacromolecules, 2000
- Molecular Dynamics of Atactic Polypropylene MeltsMacromolecules, 1998
- Computer Simulations of Polyisoprene Local Dynamics in Vacuum, Solution, and the Melt: Are Conformational Transitions Always Important?Macromolecules, 1996
- The calculation of the potential of mean force using computer simulationsComputer Physics Communications, 1995
- The computation of a potential of mean force: Choice of the biasing potential in the umbrella sampling techniqueThe Journal of Chemical Physics, 1994
- Multi-colour algorithms in molecular simulation: vectorisation and parallelisation of internal forces and constraintsComputer Physics Communications, 1991
- Monte Carlo free energy estimates using non-Boltzmann sampling: Application to the sub-critical Lennard-Jones fluidChemical Physics Letters, 1974