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pro vyhledávání: '"Petrie, Cody"'
Autor:
Kurniawan, Yonatan, Petrie, Cody L., Transtrum, Mark K., Tadmor, Ellad B., Elliott, Ryan S., Karls, Daniel S., Wen, Mingjian
Atomistic simulations are an important tool in materials modeling. Interatomic potentials (IPs) are at the heart of such molecular models, and the accuracy of a model's predictions depends strongly on the choice of IP. Uncertainty quantification (UQ)
Externí odkaz:
http://arxiv.org/abs/2206.00578
Autor:
Kurniawan, Yonatan, Petrie, Cody L., Williams, Kinamo J., Transtrum, Mark K., Tadmor, Ellad B., Elliott, Ryan S., Karls, Daniel S., Wen, Mingjian
Publikováno v:
J. Chem. Phys. 156, 214103 (2022)
In this paper, we consider the problem of quantifying parametric uncertainty in classical empirical interatomic potentials (IPs) using both Bayesian (Markov Chain Monte Carlo) and frequentist (profile likelihood) methods. We interface these tools wit
Externí odkaz:
http://arxiv.org/abs/2112.10851
We consider how mathematical models enable predictions for conditions that are qualitatively different from the training data. We propose techniques based on information topology to find models that can apply their learning in regimes for which there
Externí odkaz:
http://arxiv.org/abs/2109.10449
Autor:
Kurniawan, Yonatan, Petrie, Cody L., Williams Jr., Kinamo J., Transtrum, Mark K., Tadmor, Ellad B., Elliott, Ryan S., Karls, Daniel S., Wen, Mingjian
Publikováno v:
Journal of Chemical Physics; 6/7/2022, Vol. 156 Issue 21, p1-21, 21p
Publikováno v:
Journal of the Utah Academy of Sciences, Arts & Letters. 2015, Vol. 92, p239-255. 17p.
Akademický článek
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Autor:
Beaupre R 2nd; Creighton University Arizona Health Education Alliance, Department of Emergency Medicine, Phoenix, Arizona., Petrie C; Creighton University Arizona Health Education Alliance, Department of Emergency Medicine, Phoenix, Arizona., Toledo A; Creighton University Arizona Health Education Alliance, Department of Emergency Medicine, Phoenix, Arizona.
Publikováno v:
Clinical practice and cases in emergency medicine [Clin Pract Cases Emerg Med] 2020 Aug; Vol. 4 (3), pp. 349-351.