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Publication Year: 2023 Subject: Materials Science and Engineering

1 to 7 of 7 Results

Experimental and computational data from MoS-ion deposition on graphene Jan 17, 2024 Zhang, Xuejiao, 2023, "Experimental and computational data from MoS-ion deposition on graphene", https://doi.org/10.17617/3.O1RHX5, Edmond, V2 XYZ structures and trajectories for MoS-ions and molecules modeling, as well as the molecular dynamics at the level of Density Functional Theory.
Supplementary material: Machine learning based classification of vector field configurations Sep 29, 2023 Pathak, Swapneel Amit; Holt, Sam; Lang, Martin; Fangohr, Hans, 2023, "Supplementary material: Machine learning based classification of vector field configurations", https://doi.org/10.17617/3.KG33A1, Edmond, V1 The data set contains the supplementary material to support the paper: Machine learning based classification of vector field configurations. The dataset contains simulation files, scripts for data generation and a notebook which shows the steps undertaken to perform the study. Th...
Supplementary material: Vision for Unified Micromagnetic Modeling (UMM) with Ubermag Sep 29, 2023 Fangohr, Hans; Lang, Martin; Holt, Samuel J. R.; Pathak, Swapneel Amit; Zulfiqar, Kauser; Beg, Marijan, 2023, "Supplementary material: Vision for Unified Micromagnetic Modeling (UMM) with Ubermag", https://doi.org/10.17617/3.D5FT5Y, Edmond, V1 Supplementary material for the "Vision for Unified Micromagnetic Modeling (UMM) with Ubermag" paper containing the source code and software requirements.
Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance" Aug 24, 2023 Matera, Sebastian, 2023, "Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"", https://doi.org/10.17617/3.EPRBFA, Edmond, V1 A complementary simple toy problem and sample code and datasets of 1p-kMC simulation results used for the manuscript. For details see the README.me file
DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules Jun 27, 2023 Lai, King Chun; Matera, Sebastian; Scheurer, Christoph; Reuter, Karsten, 2023, "DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules", https://doi.org/10.17617/3.U7VKBM, Edmond, V1 This data set contains implementation code and examples for the methodology described in the research article with the title "A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules". The article is accepted by The Journal of Chemical Phys...
Rainbows in a bottle: Realizing microoptic effects by polymerizable multiple emulsion particle design May 17, 2023 Yandrapalli, Naresh, 2023, "Rainbows in a bottle: Realizing microoptic effects by polymerizable multiple emulsion particle design", https://doi.org/10.17617/3.F4IK6W, Edmond, V1 In nature, structural colour generation is based on discriminative light propagation associated with physical structures in the range of the wavelengths of light1. These iridescent structural colours are of immense significance2 but not easy to control experimentally and therefor...
Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques Mar 1, 2023 Berger, Ruediger, 2023, "Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques", https://doi.org/10.17617/3.GOCS2D, Edmond, V1 We provide the data for the measurements of the work "Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques" published in Nature Communications (https://doi.org/10.1038/s41467-023-36792-7).

Experimental and computational data from MoS-ion deposition on graphene

Jan 17, 2024

Zhang, Xuejiao, 2023, "Experimental and computational data from MoS-ion deposition on graphene", https://doi.org/10.17617/3.O1RHX5, Edmond, V2

XYZ structures and trajectories for MoS-ions and molecules modeling, as well as the molecular dynamics at the level of Density Functional Theory.

Supplementary material: Machine learning based classification of vector field configurations

Sep 29, 2023

Pathak, Swapneel Amit; Holt, Sam; Lang, Martin; Fangohr, Hans, 2023, "Supplementary material: Machine learning based classification of vector field configurations", https://doi.org/10.17617/3.KG33A1, Edmond, V1

The data set contains the supplementary material to support the paper: Machine learning based classification of vector field configurations. The dataset contains simulation files, scripts for data generation and a notebook which shows the steps undertaken to perform the study. Th...

Supplementary material: Vision for Unified Micromagnetic Modeling (UMM) with Ubermag

Sep 29, 2023

Fangohr, Hans; Lang, Martin; Holt, Samuel J. R.; Pathak, Swapneel Amit; Zulfiqar, Kauser; Beg, Marijan, 2023, "Supplementary material: Vision for Unified Micromagnetic Modeling (UMM) with Ubermag", https://doi.org/10.17617/3.D5FT5Y, Edmond, V1

Supplementary material for the "Vision for Unified Micromagnetic Modeling (UMM) with Ubermag" paper containing the source code and software requirements.

Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"

Aug 24, 2023

Matera, Sebastian, 2023, "Supplementary material for "Efficient global sensitivity analysis of kinetic Monte Carlo simulations using Cramérs von Mises distance"", https://doi.org/10.17617/3.EPRBFA, Edmond, V1

A complementary simple toy problem and sample code and datasets of 1p-kMC simulation results used for the manuscript. For details see the README.me file

DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules

Jun 27, 2023

Lai, King Chun; Matera, Sebastian; Scheurer, Christoph; Reuter, Karsten, 2023, "DECAF — A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules", https://doi.org/10.17617/3.U7VKBM, Edmond, V1

This data set contains implementation code and examples for the methodology described in the research article with the title "A Fuzzy Classification Framework to Identify Equivalent Atoms in Complex Materials and Molecules". The article is accepted by The Journal of Chemical Phys...

Rainbows in a bottle: Realizing microoptic effects by polymerizable multiple emulsion particle design

May 17, 2023

Yandrapalli, Naresh, 2023, "Rainbows in a bottle: Realizing microoptic effects by polymerizable multiple emulsion particle design", https://doi.org/10.17617/3.F4IK6W, Edmond, V1

In nature, structural colour generation is based on discriminative light propagation associated with physical structures in the range of the wavelengths of light1. These iridescent structural colours are of immense significance2 but not easy to control experimentally and therefor...

Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques

Mar 1, 2023

Berger, Ruediger, 2023, "Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques", https://doi.org/10.17617/3.GOCS2D, Edmond, V1

We provide the data for the measurements of the work "Understanding the evolution of lithium dendrites at the Li6.25Al0.25La3Zr2O12 grain boundaries via operando microscopy techniques" published in Nature Communications (https://doi.org/10.1038/s41467-023-36792-7).

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