1 to 10 of 209 Results
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... |
Nov 25, 2021 -
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
Gzip Archive - 291.5 MB -
MD5: 8d02b26f3e61997c947c6fecbae2a403
Contains simulation data (in-/output, scripts) from alchemical double decoupling |
Nov 25, 2021 -
Supplementary material for 'Umbrella sampling and double decoupling data for methanol binding to Candida antarctica lipase B'
Gzip Archive - 3.4 MB -
MD5: c700659d5c6c890fdac4b1d9dff636ce
Contains simulation data (in-/output, scripts) from Umbrella Sampling |
Nov 24, 2021 - PN 1-6
Schulz, Sebastian; Bringedal, Carina; Ackermann, Sina, 2021, "Code for relative permeabilities for two-phase flow between parallel plates with slip conditions", https://doi.org/10.18419/darus-2241, DaRUS, V1
This MATLAB code calculates relative permeabilities of two fluids flowing between two parallel plates, depending on their viscosities, saturation and boundary conditions at the top and bottom plates. The underlying assumptions behind the derivation are shown in the pdf "overview_... |
Nov 24, 2021 -
Code for relative permeabilities for two-phase flow between parallel plates with slip conditions
Objective-C Source Code - 771 B -
MD5: 4023c6b9ebbe56673b683e3e6cc127b5
Example script on how to use relativePermeabilities.m |
Nov 24, 2021 -
Code for relative permeabilities for two-phase flow between parallel plates with slip conditions
Adobe PDF - 160.5 KB -
MD5: 295831a59379d0f398f7dbe168a59b65
Underlying assumptions behind the relative permeabilities |
Nov 24, 2021 -
Code for relative permeabilities for two-phase flow between parallel plates with slip conditions
Objective-C Source Code - 4.3 KB -
MD5: f05cb34f371fe59b9208e7b5ea9f42a4
Calculation of relative permeabilities |
Oct 15, 2021 - PN 6
Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1
Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab |
Oct 15, 2021 -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments
Python Source Code - 2.8 KB -
MD5: 43201d1bd5e849ffc4b7794c6ab8e87c
|
Oct 15, 2021 -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments
Unknown - 89 B -
MD5: 8250c6756d6506ffa4b66dd979abe8eb
|