1 to 10 of 25 Results
Jul 21, 2020 - PINN Dynamic System
Praditia, Timothy, 2020, "Input-Output Dataset for Physics-inspired Artificial Neural Network for Dynamic System", https://doi.org/10.18419/darus-633, DaRUS, V1
This dataset contains two .mat files, one pre-processed (direct simulation results) and the other one is with added noise. The simulated problem is a thermochemical energy storage problem using CaO/Ca(OH)2 as the material choice. This dataset is used as input-output data pairs ne... |
Dec 2, 2020 - PN 7-6
Kneifl, Jonas; Fehr, Jörg, 2020, "Deformation of a Structural Frame of a Racing Kart Colliding against a Rigid Wall", https://doi.org/10.18419/darus-1150, DaRUS, V1
Racing Kart Frame Model This data set contains a finite element model for the commercial simulation software LS-DYNA, obtained simulation results and videos of comparing them to results obtained by surrogate models. Content Model * input files for the FE simulation software LS-DY... |
Feb 15, 2021 - Data Analytics in Engineering
Lißner, Julian, 2020, "2d microstructure data", https://doi.org/10.18419/darus-1151, DaRUS, V2
The hdf5 file contains image data of inclusion based microstructured material and the homogenized effective heat conductivity thereof. The microstructure is defined with a representative volume element with periodic boundary conditions. 30.000 images are contained and split into... |
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... |
Markthaler, Daniel; Kraus, Hamzeh; Hansen, Niels, 2022, "Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs of Abuse" challenge from umbrella sampling combined with Hamiltonian replica exchange'", https://doi.org/10.18419/darus-2109, DaRUS, V1
Binding affinities of seven drug molecules (G1-G7) towards a common receptor (cucurbit[8]uril, CB8) were estimated from molecular dynamics (MD) simulations in the scope of the recent SAMPL8 CB8 "Drugs of Abuse" challenge using the GROMACS MD package. To compare with experimental... |
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... |
Jun 20, 2022 - PN 4-7
Baier, Alexandra; Staab, Steffen, 2022, "A Simulated 4-DOF Ship Motion Dataset for System Identification under Environmental Disturbances", https://doi.org/10.18419/darus-2905, DaRUS, V1, UNF:6:Y083ZdO8GLwf/Iimyij+mQ== [fileUNF]
This dataset contains data of 125 1-hour simulations of ship motion during various sea states performing random maneuvers in 4 degrees of freedom (surge-sway-yaw-roll). The original ship is a patrol ship developed by Perez et al. [1]. We have extended it with a set of two symmetr... |
Aug 5, 2022 - PN 7-6
Kneifl, Jonas; Hay, Julian; Fehr, Jörg, 2022, "Human Occupant Motion in Pre-Crash Scenario", https://doi.org/10.18419/darus-2471, DaRUS, V1
This dataset provides simulation results from a high-fidelity human body model in a pre-crash scenario as well as a surrogate model to approximate those simulation results. The high-fidelity results contain the motion of all points describing the occupant at certain points of tim... |
Aug 26, 2022 - Institute of Thermodynamics and Thermal Process Engineering
Zimmermann, Nils Edvin Richard; Guevara-Carrion, Gabriela; Vrabec, Jadran; Hansen, Niels, 2022, "Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state'", https://doi.org/10.18419/darus-2996, DaRUS, V2
Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J. Vrabec, N. Hansen, Adv. Theory Simul., 2022) containing scripts, packages, and files to re-create and... |
