GAP model for Hf and O developed by Sivaraman, Gallington, and Krishnamoorthy et al. (2021) v000

Open Knowledgebase of Interatomic Models (OpenKIM) 2026 Open access

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Authors: Ganesh Sivaraman, Leighanne C. Gallington, Anand Narayanan Krishnamoorthy, Marius Stan, Gábor Cśanyi, Álvaro Vázquez‐Mayagoitia, Chris J. Benmore
DOI: 10.25950/9ce3da7d
Cited by: 0

Abstract

A multiphase potential generated for a canonical example of the archetypal refractory oxide, HfO2, by drawing a minimum number of training configurations from room temperature to the liquid state at ~2900°C.

Fields of Study & Subjects

Machine Learning in Materials Science Thermodynamic and Structural Properties of Metals and Alloys Fusion materials and technologies

Publication details

Journal / source
Open Knowledgebase of Interatomic Models (OpenKIM)
Publication date
1 January 2026
Language
EN