Sina Stocker, Johannes Gasteiger, Florian Becker, Stephan Günnemann, Johannes T. Margraf. How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?. Mach. Learn. Sci. Technol., 3(4):45010, December 2022. [doi]
@article{StockerGBGM22,
title = {How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?},
author = {Sina Stocker and Johannes Gasteiger and Florian Becker and Stephan Günnemann and Johannes T. Margraf},
year = {2022},
month = {December},
doi = {10.1088/2632-2153/ac9955},
url = {https://doi.org/10.1088/2632-2153/ac9955},
researchr = {https://researchr.org/publication/StockerGBGM22},
cites = {0},
citedby = {0},
journal = {Mach. Learn. Sci. Technol.},
volume = {3},
number = {4},
pages = {45010},
}