%0 Generic %1 finkbeiner2024replication %A Finkbeiner, Jan %A Tovey, Samuel James %A Holm, Christian %D 2024 %K darus mult ubs_10008 ubs_10021 ubs_20014 ubs_20019 ubs_30136 ubs_30165 ubs_40216 unibibliografie %R 10.18419/darus-4099 %T Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials %X 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.

@misc{finkbeiner2024replication, 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. }, added-at = {2024-04-16T12:00:21.000+0200}, affiliation = {Finkbeiner, Jan/Forschungszentrum Juelich GmbH, Tovey, Samuel/University of Stuttgart, Holm, Christian/University of Stuttgart}, author = {Finkbeiner, Jan and Tovey, Samuel James and Holm, Christian}, biburl = {https://puma.ub.uni-stuttgart.de/bibtex/25c3ba952bc18fedc1379bf5f7aa7c95d/unibiblio}, doi = {10.18419/darus-4099}, howpublished = {Dataset}, interhash = {2723615e0f3a8b1035833e2ca186d021}, intrahash = {5c3ba952bc18fedc1379bf5f7aa7c95d}, keywords = {darus mult ubs_10008 ubs_10021 ubs_20014 ubs_20019 ubs_30136 ubs_30165 ubs_40216 unibibliografie}, note = {Related to: Jan Finkbeiner, Samuel Tovey, Christian Holm: Generating Minimal Training Sets for Machine Learned Potentials (2023). arXiv: 2309.03840}, orcid-numbers = {Finkbeiner, Jan/0000-0003-4556-3758, Tovey, Samuel/0000-0001-9537-8361, Holm, Christian/0000-0003-2739-310X}, timestamp = {2024-04-16T12:00:21.000+0200}, title = {Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials}, year = 2024 }