Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
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Title
Using metadynamics to build neural network potentials for reactive events: the case of urea decomposition in water
Authors
Keywords
Neural network potentials, Metadynamics, Urea decomposition, Free energy surface, Kinetic rates
Journal
CATALYSIS TODAY
Volume -, Issue -, Pages -
Publisher
Elsevier BV
Online
2021-03-25
DOI
10.1016/j.cattod.2021.03.018
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