scholarly journals A Coarse-Grained DNA Model Parameterized from Atomistic Simulations by Inverse Monte Carlo

Polymers ◽  
2014 ◽  
Vol 6 (6) ◽  
pp. 1655-1675 ◽  
Author(s):  
Nikolay Korolev ◽  
Di Luo ◽  
Alexander Lyubartsev ◽  
Lars Nordenskiöld
Keyword(s):  
Monte Carlo ◽  
Coarse Grained ◽  
Atomistic Simulations ◽  
Inverse Monte Carlo

scholarly journals Coarse-grained model for phospholipid/cholesterol bilayer employing inverse Monte Carlo with thermodynamic constraints

2007 ◽  
Vol 126 (7) ◽  
pp. 075101 ◽  
Author(s):  
Teemu Murtola ◽  
Emma Falck ◽  
Mikko Karttunen ◽  
Ilpo Vattulainen
Keyword(s):  
Monte Carlo ◽  
Coarse Grained ◽  
Coarse Grained Model ◽  
Inverse Monte Carlo

Coarse-grained modeling of the nucleation of polycyclic aromatic hydrocarbons into soot precursors

2019 ◽  
Vol 21 (9) ◽  
pp. 5123-5132 ◽  
Author(s):  
J. Hernández-Rojas ◽  
F. Calvo
Keyword(s):  
Monte Carlo ◽  
Polycyclic Aromatic Hydrocarbons ◽  
Aromatic Hydrocarbons ◽  
Physical Growth ◽  
Coarse Grained ◽  
Soot Precursors ◽  
Polycyclic Aromatic ◽  
Hydrocarbon Molecules ◽  
A Minor ◽  
Monte Carlo Framework

The aggregation and physical growth of polycyclic aromatic hydrocarbon molecules was simulated using a coarse-grained potential and a stochastic Monte Carlo framework. In agreement with earlier studies, homomolecular nucleation of pyrene, coronene and circumcoronene is found to be limited at temperatures in the 500–1000 K range. Heteromolecular nucleation is found to occur with a minor spontaneous segregation toward pure and equi concentrations.

Coarse Grained End Bridging Monte Carlo Simulations of Poly(ethylene terephthalate) Melt

2007 ◽  
Vol 40 (3) ◽  
pp. 710-722 ◽  
Author(s):  
Kazunori Kamio ◽  
Krzysztof Moorthi ◽  
Doros N. Theodorou
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ethylene Terephthalate ◽  
Coarse Grained ◽  
Poly Ethylene Terephthalate ◽  
Poly Ethylene

Coarse-grained Monte Carlo simulation of excitation and ionization collisions

2016 ◽  
Author(s):  
Hai P. Le ◽  
Bokai Yan ◽  
Russel E. Caflisch ◽  
Jean-Luc Cambier
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Coarse Grained

The structure of polymer brushes near the transition from dilute to dense systems. A computer simulation study

Soft Matter ◽  
2021 ◽  
Author(s):  
Piotr Polanowski ◽  
Andrzej Sikorski
Keyword(s):  
Computer Simulation ◽  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Simulation Study ◽  
Polymer Brushes ◽  
Polymer Brush ◽  
Coarse Grained ◽  
Computer Simulation Study ◽  
Coarse Grained Model ◽  
Cooperative Motion

Monodisperse polymer brushes were studied by means of Monte Carlo simulations. A coarse-grained model of a polymer brush was designed in order and the Cooperative Motion Algorithm was employed to...

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