scholarly journals Computer simulation of copolymer phase behavior

2002 ◽  
Vol 117 (22) ◽  
pp. 10329-10338 ◽  
Author(s):  
Andrew J. Schultz ◽  
Carol K. Hall ◽  
Jan Genzer
Keyword(s):  
Computer Simulation ◽  
Phase Behavior

scholarly journals Computer simulation of the phase behavior of a model membrane protein: Annexin V

2002 ◽  
Vol 116 (16) ◽  
pp. 7217-7224 ◽  
Author(s):  
Martin A. Bates ◽  
Massimo G. Noro ◽  
Daan Frenkel
Keyword(s):  
Computer Simulation ◽  
Membrane Protein ◽  
Phase Behavior ◽  
Annexin V ◽  
Model Membrane

scholarly journals Marginally compact phase and ordered ground states in a model polymer with side spheres

2021 ◽  
Author(s):  
Tatjana Skrbic ◽  
Trinh Xuan Hoang ◽  
Achille Giacometti ◽  
Amos Maritan ◽  
Jayanth R. Banavar
Keyword(s):  
Computer Simulation ◽  
Phase Behavior ◽  
Polymer Chain ◽  
Quantitative Study ◽  
Low Temperatures ◽  
Ground States ◽  
First Order ◽  
Simulation Techniques ◽  
Computer Simulation Techniques ◽  
Mere Addition

We present the results of a quantitative study of the phase behavior of a model polymer chain with side spheres using two independent computer simulation techniques. We find that the mere addition of side spheres results in key modifications of standard polymer behavior. One obtains a novel marginally compact phase at low temperatures, the structures in this phase are reduced in dimensionality and are ordered, they include strands assembled into sheets and a variety of helices, and at least one of the transitions on lowering the temperature to access these ordered states is found to be first order. Our model serves to partially bridge conventional polymer phases with biomolecular phases.

scholarly journals Erratum: Phase behavior of C60 by computer simulation using ab-initio interaction potential

2002 ◽  
Vol 88 (3) ◽  
pp. 355-355
Author(s):  
Rui P. S. Fartaria ◽  
Fernando M. S. Silva Fernandes ◽  
Filomena F. M. Freitas ◽  
Pedro C. R. Rodrigues
Keyword(s):  
Computer Simulation ◽  
Ab Initio ◽  
Phase Behavior ◽  
Interaction Potential

Towards the Quantitative Prediction of the Phase Behavior of Polymer Solutions by Computer Simulation

2009 ◽  
Vol 278 (1) ◽  
pp. 1-9 ◽  
Author(s):  
Kurt Binder ◽  
Bortolo Matteo Mognetti ◽  
Luis Gonzalez Macdowell ◽  
Martin Oettel ◽  
Wolfgang Paul ◽  
...  
Keyword(s):  
Computer Simulation ◽  
Phase Behavior ◽  
Polymer Solutions ◽  
Quantitative Prediction
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