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Part 1: Document Description
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Citation |
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Title: |
Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials |
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Identification Number: |
doi:10.18419/darus-4099 |
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Distributor: |
DaRUS |
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Date of Distribution: |
2024-04-11 |
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Version: |
1 |
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Bibliographic Citation: |
Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/darus-4099, DaRUS, V1 |
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Citation |
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Title: |
Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials |
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Identification Number: |
doi:10.18419/darus-4099 |
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Authoring Entity: |
Finkbeiner, Jan (Forschungszentrum Juelich GmbH) |
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Tovey, Samuel (University of Stuttgart) |
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Holm, Christian (University of Stuttgart) |
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Grant Number: |
EXC 2075 - 390740016 |
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Grant Number: |
SPP 2363 - 460865652 |
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Grant Number: |
497249646 |
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Distributor: |
DaRUS |
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Access Authority: |
Holm, Christian |
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Depositor: |
Tovey, Samuel |
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Date of Deposit: |
2024-03-15 |
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Holdings Information: |
https://doi.org/10.18419/darus-4099 |
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Study Scope |
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Keywords: |
Physics, Molecular Dynamics |
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Abstract: |
Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with the trained potentials. |
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Methodology and Processing |
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Sources Statement |
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Data Access |
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Other Study Description Materials |
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Related Publications |
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Citation |
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Title: |
Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023) |
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Identification Number: |
2309.03840 |
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Bibliographic Citation: |
Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023) |
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Label: |
generating_minimal_training_sets_for_machine_learned_potentials.tar.gz |
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Text: |
Data for reproducing paper results. |
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Notes: |
application/gzip |