Simulation of Ionic Copolymers by Molecular Dynamics

• Autorzy: Dzięcielski M. , Knychała P. , Banaszak M.

Identyfikatory

DOI

10.12921/cmst.2016.0000055

• Języki publikacji: EN

Abstrakty

EN

Using GROMACS (a molecular dynamics package) we simulate ionic copolymers and compare the numerical results with those obtained by the lattice Monte Carlo simulations. While the results are qualitatively similar for both methods, the simulation times are significantly longer for the molecular dynamics simulations than those for the corresponding Monte Carlo runs

Słowa kluczowe

EN

GROMACS; molecular dynamics; ion diblock copolymer; microphase separation

• Wydawca: Institute of Bioorganic Chemistry Scientific Publishers OWN, Polish Academy of Sciences
• Czasopismo: Computational Methods in Science and Technology
• Rocznik: 2016
• Tom: Vol. 22, No. 4
• Strony: 187--196
• Opis fizyczny: Bibliogr. 37 poz., rys.

Twórcy

autor

Dzięcielski M.

• Faculty of Geographical and Geological Sciences, Adam Mickiewicz University ul. Krygowskiego 10, 61-680 Poznań, Poland

autor

Knychała P.

• Faculty of Polytechnic, The President Stanislaw Wojciechowski University School of Applied Sciences in Kalisz ul. Nowy Świat 4, 62-800 Kalisz, Poland

autor

Banaszak M.

• Faculty of Physics, A. Mickiewicz University ul. Umultowska 85, 61-614 Poznan, Poland

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Uwagi

PL

Opracowanie ze środków MNiSW w ramach umowy 812/P-DUN/2016 na działalność upowszechniającą naukę.