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Nov 25, 2021 - Molecular Simulation
Markthaler, Daniel; Hansen, Niels, 2021, "Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'", https://doi.org/10.18419/darus-2104, DaRUS, V1
This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of collective variables) together with scripts used for set-up and analysis of the umbrella sampling and doub... |
Feb 15, 2021
Processing Uncertain Microstructural Data: The projects objective is to relate image-based data of stochastic microstructures to their quantities of interest. The data consists mainly of microstructure images, corresponding material properties and features deployed in machine lea... |