1 to 10 of 67 Results
Jun 3, 2025 - demoa
Walter, Johannes R.; Wochner, Isabell; Jacob, Marc; Stollenmaier, Katrin; Lerge, Patrick; Schmitt, Syn, 2022, "allmin: A Reduced Human All-Body Model", https://doi.org/10.18419/DARUS-2982, DaRUS, V3
A reduced all-body model parametrised using generic literature data for the geometry of the skeleton including attachment points for ligaments and muscles. This allmin model consists of a musculoskeletal model of the human body with 20 degrees of freedom actuated by 36 muscles. The model is prepared to run muscle-driven simulation. The file contain... |
Schmitt, Syn, 2022, "demoa-base: a biophysics simulator for muscle-driven motion", https://doi.org/10.18419/DARUS-2550, DaRUS, V6
For more information, such as installation, requirements and user guide, please see the demoa manual. The development of this package was supported by “Deutsche Forschungsgemeinschaft” (DFG, German Research Foundation) under Germany’s Excellence Strategy - EXC 2075 - 390740016. |
May 21, 2025 - A01: Molecular detail in fluid simulations: Density Functional Theory within component and momentum balances
Bursik, Benjamin; Stierle, Rolf; Bauer, Gernot; Gross, Joachim, 2025, "Supplementary Data to: Modelling Interfacial Dynamics Using Hydrodynamic Density Functional Theory: Dynamic Contact Angles and the Role of Local Viscosity", https://doi.org/10.18419/DARUS-4528, DaRUS, V1
Several files are included here: Jupyter notebooks which can be used a) to visualize density profiles of equilibrium and dynamic droplet simulations (DFT, HDFT, MD, NEMD), and to determine the respective contact angle b) to determine and plot the center of mass position of the droplet, to calculate the average or steady-state velocity of the drople... |
May 12, 2025 - PN 6-15
Gaimann, Mario U.; Klopotek, Miriam, 2025, "Supplementary Videos for: Robustly optimal dynamics for active matter reservoir computing (Gaimann and Klopotek, 2025)", https://doi.org/10.18419/DARUS-4619, DaRUS, V1
This dataset contains supplementary videos for the publication "Robustly optimal dynamics for active matter reservoir computing" (Gaimann and Klopotek, 2025) The videos show active matter systems (swarms) driven by an external force. These swarm systems can be used to predict the future trajectory of the external driving force using reservoir compu... |
May 12, 2025 - PN 6-15
Gaimann, Mario U.; Klopotek, Miriam, 2025, "Replication Data for: Robustly optimal dynamics for active matter reservoir computing (Gaimann and Klopotek, 2025)", https://doi.org/10.18419/DARUS-4620, DaRUS, V1, UNF:6:JR70RsK1jeEUWlriMxeIpw== [fileUNF]
This repository contains raw and post-processed replication data for the publication "Robustly optimal dynamics for active matter reservoir computing" (Gaimann and Klopotek, 2025). The datasets contain physical observables recorded during non-equilibrium simulations of active matter systems (swarms) driven by an external force. These simulations se... |
May 7, 2025 - Institute for Modelling and Simulation of Biomechanical Systems
Badie, Nadine; Schmitt, Syn, 2025, "Code and Data for: "Bioinspired Morphology and Task Curricula for Learning Locomotion in Bipedal Muscle-Actuated Systems"", https://doi.org/10.18419/DARUS-5030, DaRUS, V1
This repository includes the data and the code of the (soon to be published) paper: "Bioinspired Morphology and Task Curricula for Learning Locomotion in Bipedal Muscle-Actuated Systems" by Nadine Badie, Firas Al-Hafez, Pierre Schumacher, Daniel F.B. Haeufle, Jan Peters, and Syn Schmitt. Please always cite the paper in combination with this dataset... |
Apr 23, 2025 - SFB 1333 - Pluhackova Group, SimTech
Kolin, Sofia; Pluhackova, Kristyna, 2025, "Supplementary Information to "Linker-Cluster Cooperativity in Confinement of Proline- Functionalized Zr-Based Metal-Organic Frameworks and its Effect on the Organocatalytic Aldol Reaction"", https://doi.org/10.18419/DARUS-4834, DaRUS, V1
Files and structures for performing all-atom molecular dynamics simulations of UiO-67 and UiO-67-based structures filled with Methanol and reactant and product molecules. |
Apr 16, 2025 - PN 3-11
Pluhackova, Kristyna; Pfaendner, Christian; Unger, Benjamin; Korn, Viktoria Helena, 2025, "Data for: ART-SM: Boosting Fragment-Based Backmapping by Machine Learning", https://doi.org/10.18419/DARUS-4134, DaRUS, V1
The simulation files, molecule topologies, and analysis workflows required to generate the results of our paper 'ART-SM: Boosting Fragment-Based Backmapping by Machine Learning' published in J. Chem. Theory Comput.. In details: simulations.tar.gz: Contains the pdb (molecular structure), xtc (trajectory), mdp (MD parameters), itp (topology), and top... |
Mar 7, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Teh, Tiong Wei; Franz, Philipp; Stierle, Rolf; Hansen, Niels; Gross, Joachim, 2025, "Supplementary material for "GPU-accelerated classical density functional theory for alkane adsorption in cationic Faujasites: accuracy and performance comparison with grand canonical Monte Carlo simulations"", https://doi.org/10.18419/DARUS-4710, DaRUS, V1, UNF:6:stHJH07TlPNQ2mlEEjL5kA== [fileUNF]
The data that support the findings of the article "Classical density functional theory for alkane adsorption in cationic Faujasites: comparison with grand canonical Monte Carlo simulations". The dataset includes all adsorption data obtained from GCMC simulations (data_gcmc), from classical DFT calculations (data_dft) and RASPA input files (raspa).... |
Feb 14, 2025 - Institute of Thermodynamics and Thermal Process Engineering
Spera, Marcelle; Darouich, Samir; Pleiss, Jürgen; Hansen, Niels, 2025, "Supplementary material for "Influence of water content on thermophysical properties of aqueous glyceline solutions predicted by molecular dynamics simulations"", https://doi.org/10.18419/DARUS-4483, DaRUS, V1
This dataset contains force field files in GROMACS format accompanying the mentioned publication. The topology file is given for one specific composition and can be adapted by changing the number of molecules in the '[ molecules ]' block. The numerical data of all calculated thermophysical properties is provided in the XML-based IUPAC standard for... |
