Exploring model complexity in machine learned potentials for simulated properties

Exploring model complexity in machine learned potentials for simulated properties

Abstract Machine learning (ML) enables the development of interatomic potentials with the accuracy of first principles methods while retaining the speed and parallel efficiency of empirical potentials. While ML potentials traditionally use atom-centered descriptors as inputs, different...

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Bibliographic Details
Main Authors: Rohskopf, A., Goff, J., Sema, D., Gordiz, K., Nguyen, N. C., Henry, A., Thompson, A. P., Wood, M. A.
Other Authors: Massachusetts Institute of Technology. Department of Mechanical Engineering
Format: Article
Language:English
Published: Springer International Publishing 2023
Online Access:https://hdl.handle.net/1721.1/152387

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