Subject: Computer and Information Science
Funding Information Agency: Deutsche Forschungsgemeinschaft
Data Generation: Simulation
1 to 2 of 2 Results
Sep 14, 2021 - Molecular Simulation
Kraus, Hamzeh; Hansen, Niels, 2021, "Supplementary material for 'Confinement Effects for Efficient Macrocyclization Reactions with Supported Cationic Molybdenum Imido Alkylidene N‑Heterocyclic Carbene Complexes'", https://doi.org/10.18419/darus-1752, DaRUS, V1
This dataset contains simulation input files in GROMACS format accompanying the mentioned publication. Structure, topology, and simulation parameter-files (directory Mdp) are provided for four simulations - a 2.5 nm pore with one catalyst molecule, a 2.5 nm pore with two catalyst... |
Jul 21, 2020 - PINN Dynamic System
Praditia, Timothy, 2020, "Input-Output Dataset for Physics-inspired Artificial Neural Network for Dynamic System", https://doi.org/10.18419/darus-633, DaRUS, V1
This dataset contains two .mat files, one pre-processed (direct simulation results) and the other one is with added noise. The simulated problem is a thermochemical energy storage problem using CaO/Ca(OH)2 as the material choice. This dataset is used as input-output data pairs ne... |