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Supplementary material for 'Adsorption of Light Gases in Covalent Organic Fra...
This dataset contains results from classical Density Functional Theory (DFT) and Grand Canonical Monte Carlo (GCMC) Simulation. We report excellent agreement between the fluid... -
Supplementary material for 'Prediction of Adsorption Isotherms and Selectivit...
This dataset contains simulation results in ASCII format accompanying the mentioned publication. The filename is structured in the following kind: Number of the figure in which... -
Sediment structure and deposition rates of sediment core YC18 PB SCO1
This dataset has no description
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ML-ready Curie temperatures and descriptors extracted from the JuHemd database
The uploaded archive provides a ML-ready data set extracted from the juHemd database (see references) augmented with supplemental data for atomic descriptors. Descriptors... -
Borneo stalagmite SC02 temperature reconstructions over Termination I by the ...
This dataset presents cave temperatures over the last glacial termination from stalagmite SC02 from Secret Cave in Mulu, Northern Borneo (4.063°N, 114.833°E). The temperatures... -
Dataset for neutronics benchmark of NuScale-like core
This data set supplements the neutronics benchmark of the NuScale-like core. The data set includes spreadsheets with material compositions and the reference Serpent Monte Carlo... -
Dataset for neutronics benchmark of NuScale-like core
This data set supplements the neutronics benchmark of the NuScale-like core. The data set includes spreadsheets with material compositions and the reference Serpent Monte Carlo... -
Dataset for neutronics benchmark of NuScale-like core
This data set supplements the neutronics benchmark of the NuScale-like core. The data set includes spreadsheets with material compositions and the reference Serpent Monte Carlo... -
Dataset for neutronics benchmark of NuScale-like core
This data set supplements the neutronics benchmark of the NuScale-like core. The data set includes spreadsheets with material compositions and the reference Serpent Monte Carlo... -
Inter-Nucleosomal Potentials from Nucleosomal Positioning Data [Research Data]
This dataset accompanies the paper "Inter-Nucleosomal Potentials from Nucleosomal Positioning Data." In this paper, a systematic method to develop inter-nucleosomal potentials... -
Dynamical fractal and anomalous noise in clean magnetic crystal
This dataset has no description
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The AiiDA-Spirit plugin for automated spin-dynamics simulations and multi-sca...
Landau-Lifshitz-Gilbert (LLG) spin-dynamics calculations based on the extended Heisenberg Hamiltonian is an important tool in computational materials science involving magnetic... -
Training sets based on uncertainty estimates in the cluster-expansion method
Cluster expansion (CE) has gained an increasing level of popularity in recent years, and many strategies have been proposed for training and fitting the CE models to... -
The JuHemd (Jülich-Heusler-magnetic-database) of the Monte Carlo simulated cr...
The JuHemd (Jülich-Heusler-magnetic-database) is a collection of the magnetic phase transition types and transition temperatures (Tc) for experimentally documented Heusler and... -
Predicting Product Distribution of Propene Dimerization in Nanoporous Materia...
Project abstract: In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which... -
DPA calculation with FLUKA2021, PHITS and MCNP6
Input-files for Monte Carlo-Codes FLUKA2021, PHITS, MCNP62 to calculate the DPA results presented at SATIF15 Work supported by European Commission: aMUSE - advanced...
