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- Title:
How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?
- Document type:
- Zeitschriftenaufsatz
- Author(s):
- Stocker, Sina; Gasteiger, Johannes; Becker, Florian; Günnemann, Stephan; Margraf, Johannes T
- Journal title:
- Machine Learning: Science and Technology
- Year:
- 2022
- Journal volume:
- 3
- Journal issue:
- 4
- Pages contribution:
- 045010
- Fulltext / DOI:
- doi:10.1088/2632-2153/ac9955
- Publisher:
- IOP Publishing
- E-ISSN:
- 2632-2153
- Date of publication:
- 01.11.2022
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