Bayesian, frequentist, and information geometric approaches to parametric uncertainty quantification of classical empirical interatomic potentials Y Kurniawan, CL Petrie, KJ Williams, MK Transtrum, EB Tadmor, ... The Journal of Chemical Physics 156 (21), 2022 | 17 | 2022 |
Automated determination of grain boundary energy and potential-dependence using the OpenKIM framework B Waters, DS Karls, I Nikiforov, RS Elliott, EB Tadmor, B Runnels Computational Materials Science 220, 112057, 2023 | 14 | 2023 |
The OpenKIM processing pipeline: A cloud-based automatic material property computation engine DS Karls, M Bierbaum, AA Alemi, RS Elliott, JP Sethna, EB Tadmor The Journal of Chemical Physics 153 (6), 2020 | 13 | 2020 |
Entropic stabilization of austenite in shape memory alloys RS Elliott, DS Karls Journal of the Mechanics and Physics of Solids 61 (12), 2522-2536, 2013 | 11 | 2013 |
Type Label Framework for Bonded Force Fields in LAMMPS JR Gissinger, I Nikiforov, Y Afshar, B Waters, M Choi, DS Karls, ... The Journal of Physical Chemistry B 128 (13), 3282-3297, 2024 | 7 | 2024 |
Transferability of Empirical Potentials and the Knowledgebase of Interatomic Models (KIM) D Karls University of Minnesota, 2016 | 7 | 2016 |
Injecting domain knowledge from empirical interatomic potentials to neural networks for predicting material properties Z Shui, D Karls, M Wen, E Tadmor, G Karypis Advances in Neural Information Processing Systems 35, 14839-14851, 2022 | 6 | 2022 |
HPC extensions to the openkim processing pipeline DS Karls, SM Clark, BA Waters, RS Elliott, EB Tadmor 2022 IEEE 18th International Conference on e-Science (e-Science), 278-283, 2022 | 2 | 2022 |
Fine-tuning language models on multiple datasets for citation intention classification Z Shui, P Karypis, DS Karls, M Wen, S Manchanda, EB Tadmor, G Karypis arXiv preprint arXiv:2410.13332, 2024 | 1 | 2024 |
Extending OpenKIM with an Uncertainty Quantification Toolkit for Molecular Modeling Y Kurniawan, CL Petrie, MK Transtrum, EB Tadmor, RS Elliott, DS Karls, ... 2022 IEEE 18th International Conference on e-Science (e-Science), 367-377, 2022 | | 2022 |