31 to 40 of 372 Results
May 20, 2026PN 6
We investigate computation through the lens of dynamical systems, unifying physical processes and machine learning. By treating both hardware and algorithms as evolving dynamical systems, we leverage natural physical dynamics - such as relaxation to stable states and phase transitions - as a foundation for robust, efficient computation. Our work sh... |
May 11, 2026 - PN 3-11
Korn, Viktoria Helena; Pluhackova, Kristyna, 2026, "Supplementary Material for "Refinement of CHARMM36m force field parameters for protein phosphorylation by force-matching"", https://doi.org/10.18419/DARUS-5682, DaRUS, V2
GROMACS simulation files, input and final structures for CHARMM36m MD simulations including our refined parameters for phosphorylated serine in 3 different protonation states. The directory charmm36-jul22mod.ff contains our refined parameters. |
May 8, 2026 - Usability and Sustainability of Simulation Software
Sajith, Durga Lakshmi, 2026, "Replication Data for: Fine-Tuning Large Language Models for JSON Schema Generation and Modification", https://doi.org/10.18419/DARUS-5914, DaRUS, V1
This dataset contains a training dataset consisting of natural language description-JSON Schema pairs, which can be used to fine-tune LLMs and an evaluation dataset, which can be used to assess the JSON Schema generation capability of LLMs. The evaluation dataset consists of five categories with prompts and their corresponding ground truth schemas.... |
Apr 30, 2026 - Blasco group Dataverse
Delavier, Christian; Bechtold, Svenja, 2026, "Data for: "3D Digital Light Processing of Redox-Active Polymers for Electrochemical Applications"", https://doi.org/10.18419/DARUS-5532, DaRUS, V1
This dataset contains the material characterization data for the related publication as well as pictures, figures and synthetic procedure information. The data is provided in two separate folders, with the folder titled Daten_DaRUS containing the data generated at Heidelberg University and the folder SE-EC Daten_DaRUS containing the data generated... |
Apr 21, 2026 - Usability and Sustainability of Simulation Software
Schneider, David, 2025, "Replication Data for: Data-Parallel PU-RBF Interpolation", https://doi.org/10.18419/DARUS-5392, DaRUS, V2
This dataset contains software (preCICE and ASTE) as well as setup and result files to reproduce the numerical experiments in Section 5.3 of my dissertation titled "Flexible and Efficient Data Mapping for Simulation of Coupled Problems". For further instructions on how to run the experiments see the README.md of the dataset. |
Apr 14, 2026Surrogate models for groundwater flow simulations
This dataverse contains the datasets for all steps of our stepwise benchmark based on input data from the region of Munich. The first step starts with a single heat pump in a heterogeneous 2D subsurface aquifer with seasonal operational pump parameters. The second step contains two potentially interacting heat plumes and fewer data points due to th... |
Apr 9, 2026 - Usability and Sustainability of Simulation Software
Vinnitchenko, Niklas; Desai, Ishaan; Rodenberg, Benjamin; Hildebrand, Philip; Humbert, Angelika; Uekermann, Benjamin, 2026, "Replication Data for: Version 1.0.0 - FEniCSx-preCICE: Coupling FEniCSx to other simulation software", https://doi.org/10.18419/DARUS-5847, DaRUS, V1
This dataset contains software and result files for the publication: Version 1.0.0 - FEniCSx-preCICE: Coupling FEniCSx to other simulation software in the journal SoftwareX. |
Apr 7, 2026 - Coarse-grained non-equilibrium dynamics with generative machine learning
Egenlauf, Patrick; Březinová, Iva; Andergassen, Sabine; Klopotek, Miriam, 2026, "Replication Data for: Capturing reduced-order quantum many-body dynamics out of equilibrium via neural ordinary differential equations", https://doi.org/10.18419/DARUS-5613, DaRUS, V3
This dataset contains all relevant data to reproduce the results of the paper titled "Capturing reduced-order quantum many-body dynamics out of equilibrium via neural ordinary differential equations". It contains the exact time series data of the two-particle reduced density matrix (2RDM) for each parameter configuration of the parameter scan, with... |
Mar 20, 2026 - PN 3-11
Pluhackova, Kristyna; Hiller, Sebastian; Agustoni, Elia, 2026, "Supplementary Data to: "Activation mechanism of the full-length histidine kinase LvrB from pathogenic Leptospira"", https://doi.org/10.18419/DARUS-5664, DaRUS, V2
MD data (author K. Pluhackova): Initial coordinate and simulation input files and a coordinate files of the final outputs as well as of the simulation trajectories (protein only) for all-atom MD simulations of LvrB performed using CHARMM36m/TIP4p in GROMACS2023. (pdb, xtc) Simulation data on phosphorylated aspartic acid (residue APP) with parameter... |
Mar 10, 2026 - PN 6A-3
Schäfer, Moritz; Segreto, Nico; Zills, Fabian; Holm, Christian; Kästner, Johannes, 2026, "Replication Data for: Apax: A Flexible and Performant Framework For The Development of Machine-Learned Interatomic Potentials", https://doi.org/10.18419/DARUS-5007, DaRUS, V1
This repository contains the data for our paper on "Apax: A Flexible and Performant Framework For The Development of Machine-Learned Interatomic Potentials". This includes both the simulation results as well as workflows and input files needed to recreate the results. Different experiments are contained on different branches and a more detailed REA... |
