Stuttgart Center for Simulation Science (SC SimTech)

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21 to 30 of 251 Results

Replication Data for: "BSP k-Means" Dec 11, 2025 - PN 6-4 Künzel, Sebastian; Weiskopf, Daniel, 2025, "Replication Data for: "BSP k-Means"", https://doi.org/10.18419/DARUS-5575, DaRUS, V1 This dataset contains reference implementations in C++ and CUDA for the algorithm presented in the paper "BSP k-Means". The purpose of the data is to allow replication of the reported results.
Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference Dec 9, 2025 - PN 2-6 Range, Jan Peter; Pleiss, Jürgen; Bommarius, Andreas, 2025, "Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference", https://doi.org/10.18419/DARUS-5539, DaRUS, V1, UNF:6:l47sIu5Gd2e6cn3HDM5h6g== [fileUNF] α-Amino ester hydrolases (AEHs) offer a promising route to the stereoselective synthesis of β-lactams such as cephalexin. However, published kinetic studies have encountered difficulty when extended beyond fitting of the data, indicating practical non-identifiability of the underlying kinetic models. Here, we address this issue using Bayesian infer...
Replication Code for: Augmenting a pure and hybrid vertical equilibrium scheme via data-driven surrogate modelling Dec 1, 2025 - PN 5-2 (II) Buntic, Ivan; Flemisch, Bernd, 2025, "Replication Code for: Augmenting a pure and hybrid vertical equilibrium scheme via data-driven surrogate modelling", https://doi.org/10.18419/DARUS-5343, DaRUS, V2 This data set contains the source code to reproduce the simulation and data-driven models for the publication Augmenting a pure and hybrid vertical me via data-driven surrogate modelling, that has been submitted to the Transport in Porous Media journal. Files README.md: Instructions on installing all necessary modules using git or Docker. install_b...
Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement Nov 28, 2025 - PN 3 Stärk, Philipp; Schlaich, Alexander, 2025, "Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement", https://doi.org/10.18419/DARUS-5037, DaRUS, V1, UNF:6:2rxz9p/7+PzWplE3Nv/71A== [fileUNF] Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement This data respository contains software code for an implementation of the Wang-Landau (WL) method in LAMMPS, code to "stitch" together free energy profiles from WL runs of sub-spaces of the phase space, simu...
Replication Data for: A Modular Approach for Mesh-Particle Coupling Nov 26, 2025 - Usability and Sustainability of Simulation Software Schneider, David, 2025, "Replication Data for: A Modular Approach for Mesh-Particle Coupling", https://doi.org/10.18419/DARUS-5494, DaRUS, V1 This dataset contains software as well as setup and result files to reproduce the numerical experiments in Chapter 7 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.
Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations Nov 25, 2025 - PN 3 Stärk, Philipp; Stooß, Henrik; Loche, Philip; Bonthuis, Douwe Jan; Netz, Roland; Schlaich, Alexander, 2025, "Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations", https://doi.org/10.18419/DARUS-4317, DaRUS, V1 This repository contains the input scripts and raw data to replicate the results of the main publication.
Atmospyre v1.0.0 Nov 17, 2025 - PN 1-X Keim, Leon, 2025, "Atmospyre v1.0.0", https://doi.org/10.18419/DARUS-5531, DaRUS, V1 Release v1.0.0 of AtmosPyre. AtmosPyre is a flexible library for atmospheric measurements. Monitor CO₂, Radon, and more with an intuitive Python API.
Supplemental Material for "Potentially Visible Set Generation with the Disocclusion Buffer" Oct 29, 2025 - PN 6-4 Künzel, Sebastian; Geringer, Sergej; Quang Ngo, Quynh; Voglreiter, Philip; Weiskopf, Daniel; Schmalstieg, Dieter, 2025, "Supplemental Material for "Potentially Visible Set Generation with the Disocclusion Buffer"", https://doi.org/10.18419/DARUS-5385, DaRUS, V1 Supplemental material for our paper "Potentially Visible Set Generation with the Disocclusion Buffer": A video showcasing our architecture and example visualizations The source archive to replicate the results reported in our paper
Replication Data for: Flexible Data Mapping in preCICE Oct 14, 2025 - Usability and Sustainability of Simulation Software Schneider, David, 2025, "Replication Data for: Flexible Data Mapping in preCICE", https://doi.org/10.18419/DARUS-5395, DaRUS, V1 This dataset contains software (preCICE, ASTE, and the heat solver) as well as setup and result files to reproduce the numerical experiments in Chapter 6 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.
Replication Data for: Data-Parallel RBF Interpolation Oct 14, 2025 - Usability and Sustainability of Simulation Software Schneider, David, 2025, "Replication Data for: Data-Parallel RBF Interpolation", https://doi.org/10.18419/DARUS-5390, DaRUS, V1 This dataset contains software (preCICE and ASTE) as well as setup and result files to reproduce the numerical experiments in Section 5.2 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.

Replication Data for: "BSP k-Means"

Dec 11, 2025 - PN 6-4

Künzel, Sebastian; Weiskopf, Daniel, 2025, "Replication Data for: "BSP k-Means"", https://doi.org/10.18419/DARUS-5575, DaRUS, V1

This dataset contains reference implementations in C++ and CUDA for the algorithm presented in the paper "BSP k-Means". The purpose of the data is to allow replication of the reported results.

Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference

Dec 9, 2025 - PN 2-6

Range, Jan Peter; Pleiss, Jürgen; Bommarius, Andreas, 2025, "Kinetic modeling of enzymatic cephalexin synthesis with neural ODEs and surrogate-accelerated Bayesian inference", https://doi.org/10.18419/DARUS-5539, DaRUS, V1, UNF:6:l47sIu5Gd2e6cn3HDM5h6g== [fileUNF]

α-Amino ester hydrolases (AEHs) offer a promising route to the stereoselective synthesis of β-lactams such as cephalexin. However, published kinetic studies have encountered difficulty when extended beyond fitting of the data, indicating practical non-identifiability of the underlying kinetic models. Here, we address this issue using Bayesian infer...

Replication Code for: Augmenting a pure and hybrid vertical equilibrium scheme via data-driven surrogate modelling

Dec 1, 2025 - PN 5-2 (II)

Buntic, Ivan; Flemisch, Bernd, 2025, "Replication Code for: Augmenting a pure and hybrid vertical equilibrium scheme via data-driven surrogate modelling", https://doi.org/10.18419/DARUS-5343, DaRUS, V2

This data set contains the source code to reproduce the simulation and data-driven models for the publication Augmenting a pure and hybrid vertical me via data-driven surrogate modelling, that has been submitted to the Transport in Porous Media journal. Files README.md: Instructions on installing all necessary modules using git or Docker. install_b...

Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement

Nov 28, 2025 - PN 3

Stärk, Philipp; Schlaich, Alexander, 2025, "Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement", https://doi.org/10.18419/DARUS-5037, DaRUS, V1, UNF:6:2rxz9p/7+PzWplE3Nv/71A== [fileUNF]

Supplementary Data for: Phase Diagram and Criticality of the Modified Primitive Electrolyte Model in Bulk and Inert and Conducting Confinement This data respository contains software code for an implementation of the Wang-Landau (WL) method in LAMMPS, code to "stitch" together free energy profiles from WL runs of sub-spaces of the phase space, simu...

Replication Data for: A Modular Approach for Mesh-Particle Coupling

Nov 26, 2025 - Usability and Sustainability of Simulation Software

Schneider, David, 2025, "Replication Data for: A Modular Approach for Mesh-Particle Coupling", https://doi.org/10.18419/DARUS-5494, DaRUS, V1

This dataset contains software as well as setup and result files to reproduce the numerical experiments in Chapter 7 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.

Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations

Nov 25, 2025 - PN 3

Stärk, Philipp; Stooß, Henrik; Loche, Philip; Bonthuis, Douwe Jan; Netz, Roland; Schlaich, Alexander, 2025, "Supplementary Data for: Static Dielectric Profiles and Coarse-graining Approaches for Water in Graphene Slit Pores: The Crucial Influence of Boundary Conditions in Simulations", https://doi.org/10.18419/DARUS-4317, DaRUS, V1

This repository contains the input scripts and raw data to replicate the results of the main publication.

Atmospyre v1.0.0

Nov 17, 2025 - PN 1-X

Keim, Leon, 2025, "Atmospyre v1.0.0", https://doi.org/10.18419/DARUS-5531, DaRUS, V1

Release v1.0.0 of AtmosPyre. AtmosPyre is a flexible library for atmospheric measurements. Monitor CO₂, Radon, and more with an intuitive Python API.

Supplemental Material for "Potentially Visible Set Generation with the Disocclusion Buffer"

Oct 29, 2025 - PN 6-4

Künzel, Sebastian; Geringer, Sergej; Quang Ngo, Quynh; Voglreiter, Philip; Weiskopf, Daniel; Schmalstieg, Dieter, 2025, "Supplemental Material for "Potentially Visible Set Generation with the Disocclusion Buffer"", https://doi.org/10.18419/DARUS-5385, DaRUS, V1

Supplemental material for our paper "Potentially Visible Set Generation with the Disocclusion Buffer": A video showcasing our architecture and example visualizations The source archive to replicate the results reported in our paper

Replication Data for: Flexible Data Mapping in preCICE

Oct 14, 2025 - Usability and Sustainability of Simulation Software

Schneider, David, 2025, "Replication Data for: Flexible Data Mapping in preCICE", https://doi.org/10.18419/DARUS-5395, DaRUS, V1

This dataset contains software (preCICE, ASTE, and the heat solver) as well as setup and result files to reproduce the numerical experiments in Chapter 6 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.

Replication Data for: Data-Parallel RBF Interpolation

Oct 14, 2025 - Usability and Sustainability of Simulation Software

Schneider, David, 2025, "Replication Data for: Data-Parallel RBF Interpolation", https://doi.org/10.18419/DARUS-5390, DaRUS, V1

This dataset contains software (preCICE and ASTE) as well as setup and result files to reproduce the numerical experiments in Section 5.2 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.

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