Browsing NTNU Open by Author "Roet, Sander"
Now showing items 1-2 of 2
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Exact non-Markovian permeability from rare event simulations
Ghysels, An; Roet, Sander; Davoudi, Samaneh; van Erp, Titus Sebastiaan (Peer reviewed; Journal article, 2021)Permeation of compounds through membranes is important in biological and engineering processes, e.g., drug delivery through lipid bilayers, anesthetics, or chemical reactor design. Simulations at the atomic scale can provide ... -
Investigation of a parameter-free density estimation to analyze complex mechanisms using PyRETIS
Gayet, Stevie (Master thesis, 2021)