Login / Signup
How robust are modern graph neural network potentials in long and hot molecular dynamics simulations?
Sina Stocker
Johannes Gasteiger
Florian Becker
Stephan Günnemann
Johannes T. Margraf
Published in:
Mach. Learn. Sci. Technol. (2022)
Keyphrases
</>
neural network
molecular dynamics simulations
back propagation
data processing