MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations. (2022)
Attributed to:
Peta-5: A National Facility for Petascale Data Intensive Computation and Analytics
funded by
EPSRC
Abstract
No abstract provided
Bibliographic Information
Digital Object Identifier: http://dx.doi.org/10.17863/cam.85028
Publication URI: https://www.repository.cam.ac.uk/handle/1810/337621
Type: Journal Article/Review