Simulating Ion Transport with the NP+LEMC Method. Applications to Ion Channels and Nanopores.

We describe a hybrid simulation technique that uses the Nernst-Planck (NP) transport equation to compute steady-state ionic flux in a non-equilibrium system and uses the Local Equilibrium Monte Carlo (LEMC) simulation technique to establish the statistical mechanical relation between the two crucial...

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Бібліографічні деталі
Автори: Fertig Dávid, Mádai Eszter, Valiskó Mónika, Boda Dezső
Формат: Стаття
Мова:English
Опубліковано: University of Pannonia 2017-10-01
Серія:Hungarian Journal of Industry and Chemistry
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Онлайн доступ:http://www.degruyter.com/view/j/hjic.2017.45.issue-1/hjic-2017-0011/hjic-2017-0011.xml?format=INT