Calculating diffusion and permeability coefficients with the oscillating forward-reverse method

Physical Review E - Statistical, Nonlinear, and Soft Matter Physics

Volumn 86, Issue 3, 2012, Pages

  Holland, Bryan W ^a   Gray, Chris G ^a   Tomberli, Bruno ^b  

^a UNIVERSITY OF GUELPH   (Canada)

^b BRANDON UNIVERSITY   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BI-LAYER; BULK DIFFUSION COEFFICIENTS; BULK VALUE; CORE REGION; DIFFUSION CONSTANT; DIPALMITOYL PHOSPHATIDYLCHOLINE; MINIMUM VALUE; MOLECULAR DYNAMICS SIMULATIONS; PEAK HEIGHT; PEAK VALUES; POTENTIAL OF MEAN FORCE; STATISTICAL ERRORS; SYSTEM SIZE DEPENDENCE; WATER MOLECULE;

DIFFUSION; MOLECULAR DYNAMICS;

HYDRAULIC CONDUCTIVITY;

EID: 84866981225     PISSN: 15393755     EISSN: 15502376     Source Type: Journal    
DOI: 10.1103/PhysRevE.86.036707     Document Type: Article

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