Entropy-based active learning of graph neural network surrogate models for materials properties

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Persistent URL	http://purl.org/net/epubs/work/50818824
Record Status	Checked
Record Id	50818824
Title	Entropy-based active learning of graph neural network surrogate models for materials properties
Contributors	J Allotey, KT Butler (STFC Rutherford Appleton Lab.), J Thiyagalingam (STFC Rutherford Appleton Lab.)
Abstract
Organisation	STFC , SCI-COMP , SCI-COMP-SCIML
Keywords
Funding Information	EPSRC (EP/T001569/1)
Related Research Object(s):	50818695
Licence Information:
Language	English (EN)

Type	Details	URI(s)	Local file(s)	Year
Author Accepted Manuscript	J Chem Phys 155, no. 17 (2021): 174116.		STFC-AAM-2021-053.pdf	2021