1 to 10 of 117 Results
Saini, Harnoor, 2022, "User-material for: "A biophysically guided constitutive law of the musculotendon-complex: modelling and numerical implementation in Abaqus"", https://doi.org/10.18419/darus-2229, DaRUS, V1
Background and Objective: Many biomedical, clinical, and industrial applications may benefit from musculoskeletal simulations. Three-dimensional macroscopic muscle models (3D models) can more accurately represent muscle architecture than their 1D (line-segment) counterparts. Neve... |
Feb 7, 2023 - Summerschool2021_4D_EICP
Lee, Dongwon; Weinhardt, Felix; Hommel, Johannes; Class, Holger; Steeb, Holger, 2023, "Time resolved micro-XRCT dataset of Enzymatically Induced Calcite Precipitation (EICP) in sintered glass bead columns", https://doi.org/10.18419/darus-2227, DaRUS, V1
The results of EICP (Enzyme Induced Calcite Precipitation) experiments. This dataset includes pressure measurements and 3D reconstructed X-ray images during the conducted experiments. The experiment was performed on two Borosillicates Glass beads Columns (BGC). The images were ta... |
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... |
Apr 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Kessler, Christopher; Schuldt, Robin; Emmerling, Sebastian; Lotsch, Bettina; Kästner, Johannes; Gross, Joachim; Hansen, Niels, 2022, "Supplementary material for 'Influence of Layer Slipping on Adsorption of Light Gases in Covalent Organic Frameworks: A Combined Experimental and Computational Study'", https://doi.org/10.18419/darus-2308, DaRUS, V1, UNF:6:ifmtNZEZHi+MkSvB5rd1dw== [fileUNF]
This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter notebook and for a fast overview without executing the notebook also as pdf-file. Furthermore the dataset... |
Fleck, Maximilian; Markthaler, Daniel; Stankiewicz, Bartosz; Hansen, Niels, 2022, "Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction'", https://doi.org/10.18419/darus-2132, DaRUS, V1, UNF:6:8wyFNcxoOTcKA+4ZpSWLAg== [fileUNF]
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the mutation study. This dataset contains simulation input files in GROMACS format accompanying the mention... |
Mar 9, 2022 - Molecular Simulation
Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'An atomistic view on the uptake of aromatic compounds by cyclodextrin immobilized on mesoporous silica'", https://doi.org/10.18419/darus-2154, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter files are provided for all simulations conducted within the paper. The simulation is divided into three steps, an energy-minimizati... |
Aug 20, 2021 - Paper Nature Materials 2021
Schlaich, Alexander, 2021, "Simulation input scripts for "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces"", https://doi.org/10.18419/darus-2115, DaRUS, V1
This dataset includes the basic simulation scripts needed in order to reproduce the data shown in "Electronic screening using a virtual Thomas-Fermi fluid for predicting wetting and phase transitions of ionic liquids at metal surfaces". The folder structure corresponds to the ind... |
Jun 24, 2021 - CAMPOS Project P8: Conceptual Model Uncertainty
Gonzalez-Nicolas Alvarez, Ana, 2021, "Sampling Strategies of the Regime-and-memory model (RMM)", https://doi.org/10.18419/darus-2035, DaRUS, V1, UNF:6:JeAvfovoq369qtbASSmQjg== [fileUNF]
This excel file includes the observation time, Q, concentration, and lag-time used by the sampling strategies. Types of sampling strategies: Time frequency sampling strategies. River discharge frequency sampling strategies. Low Q sampling strategies. High Q sampling strategies. L... |
Mar 22, 2021 - C05: Process-dependent porosity-permeability relations for fluid-solid reactions in porous media
Piotrowski, Joseph; Huisman, Johan Alexander, 2021, "Sample, Evaporation, and Crust Data of NaCl, MgSO4, and Na2SO4 solutions from F32 Quartz Sand", https://doi.org/10.18419/darus-1642, DaRUS, V1, UNF:6:L1vcdYV8IHGNC1L+uLc2/A== [fileUNF]
The data set contains one excel file for each salt type (NaCl, MgSO4, and Na2SO4) with data from evaporation experiments and additional sample analysis. Each file has six sheets: 1. Sample properties (i.e. dimensions, effective properties, weight,...) 2. Evaporation (i.e. mass lo... |
Oct 8, 2021 - C05: Process-dependent porosity-permeability relations for fluid-solid reactions in porous media
Piotrowski, Joseph; Huisman, Johan Alexander, 2021, "Sample Properties, Evaporation Data, and Pressure Measurements of MgSO4 Crusts on F32 Quartz Sand From 0.96 mol/L, 0.64 mol/L, and 0.32 mol/L Initial Concentration", https://doi.org/10.18419/darus-1861, DaRUS, V2, UNF:6:xYGrTts04RzpxXSLpfQHTA== [fileUNF]
The dataset contains data from evaporation of magnesium sulfate solution with an initial concentration of 0.96 mol/L, 0.64 mol/L, and 0.32 mol/L from F32 quartz sand. Additionally, pressure measurement of the separated and dried crusts from 40%, 30%, and 20(25)% saturation inside... |
