ReaxFF parameter optimization for β-Ga₂O₃ MD simulations using Gaussian process Bayesian optimization

Computational Materials Science 2026

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Authors: S. S. Savka, A. S. Serednytski, Dmytro I. Popovych
DOI: 10.1016/j.commatsci.2026.114577
Cited by: 0
References: 24

Fields of Study & Subjects

Machine Learning in Materials Science Ga2O3 and related materials Advanced Chemical Physics Studies

Publication details

Journal / source
Computational Materials Science
Volume
266
Pages
114577–114577
Publication date
1 February 2026
Language
EN