CUED Publications database

Research data supporting "Data-driven learning and prediction of inorganic crystal structures"

Deringer, VL and Proserpio, DM and Csanyi, G and Pickard, CJ Research data supporting "Data-driven learning and prediction of inorganic crystal structures". (Unpublished)

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Abstract

This dataset contains potential parameter files (*.xml) for the different generations of GAP-RSS interatomic potential models described in the article, as well as structural information and DFT-computed reference and testing databases.

Item Type: Article
Uncontrolled Keywords: machine learning materials modelling random structure searching phosphorus
Subjects: UNSPECIFIED
Divisions: Div C > Applied Mechanics
Div C > Materials Engineering
Depositing User: Cron Job
Date Deposited: 18 Jul 2018 20:10
Last Modified: 18 Feb 2021 18:16
DOI: