Successes and challenges in using machine-learned activation energies in kinetic simulations. (2022)
Attributed to:
Accelerating catalyst design using reaction-path data mining
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.1063/5.0096027
PubMed Identifier: 35803803
Publication URI: http://europepmc.org/abstract/MED/35803803
Type: Journal Article/Review
Volume: 157
Parent Publication: The Journal of chemical physics
Issue: 1
ISSN: 0021-9606