Concentration gradient driven molecular dynamics: a new method for simulations of membrane permeation and separation
Author:
Affiliation:
1. Department of Chemical Engineering
2. University College London
3. London
4. UK
5. Department of Chemistry and Applied Biosciences
6. ETH Zurich
7. Zurich
8. Switzerland
9. Institute of Computational Science
Abstract
We introduce a new non-equilibrium molecular dynamics method which creates a continuous and steady-state concentration gradient along a membrane.
Funder
Türkiye Bilimsel ve Teknolojik Arastirma Kurumu
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2017/SC/C6SC04978H
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