11 to 20 of 136 Results
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... |
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 30, 2023 - PN 3-11
Wachlmayr, Johann; Fläschner, Gotthold; Pluhackova, Kristyna; Sandtner, Walter; Siligan, Christine; Horner, Andreas, 2023, "Supplementary Material for 'Entropic barrier of water permeation through single-file channels'", https://doi.org/10.18419/darus-3390, DaRUS, V1
Facilitated water permeation through narrow biological channels is fundamental for all forms of life. This process involves dehydration of bulk water entering the single-file region and hydrogen bond formation with channel lining amino acid residues. Despite its significance in h... |
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... |
Munz, Tanja; Schäfer, Noel; Blascheck, Tanja; Kurzhals, Kuno; Zhang, Eugene; Weiskopf, Daniel, 2020, "Supplemental Material for Comparative Visual Gaze Analysis for Virtual Board Games", https://doi.org/10.18419/darus-1130, DaRUS, V1
Supplemental material for "Comparative Visual Gaze Analysis for Virtual Board Games". Contains the source code, an executable file, an example data set, a video for demonstration of the analysis system and additional information about Go. The analysis system supports eye tracking... |
Jul 25, 2023 - PN 6-4
Munz-Körner, Tanja; Künzel, Sebastian; Weiskopf, Daniel, 2023, "Supplemental Material for "Visual-Explainable AI: The Use Case of Language Models"", https://doi.org/10.18419/darus-3456, DaRUS, V1
Supplemental material for the poster "Visual-Explainable AI: The Use Case of Language Models" published at the International Conference on Data-Integrated Simulation Science 2023. Collection of videos and images showing our interactive visualization systems for exploring language... |
May 27, 2024 - PN 6-4
Munz-Körner, Tanja; Weiskopf, Daniel, 2024, "Supplemental Material for "Exploring Visual Quality of Multidimensional Time Series Projections"", https://doi.org/10.18419/darus-3965, DaRUS, V1
Supplemental material for our paper "Exploring visual quality of multidimensional time series projections": A video demonstrating the interactive use of our exploration system. A table containing publications using dimensionality reduction on multidimensional time series to proje... |
Mar 28, 2024 - PN 7-6
Bechler, Florian, 2024, "Simulation Results from the Descriptive Graph-based Model of two Example Driving Scenarios", https://doi.org/10.18419/darus-4116, DaRUS, V1
Video of the interior and exterior information of a driving scenario, with the resulting graph-based description. The video shows a combination of exterior data of a driving scenario in combination with information about the drivers eyegaze. On the right side a resulting graph-ba... |
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... |
