Calibrating DFT Formation Enthalpy Calculations by Multifidelity Machine Learning

The application of machine learning to predict materials properties measured by experiments are valuable yet difficult due to the limited amount of experimental data. In this work, we use a multifidelity random forest model to learn the experimental formation enthalpy of materials with prediction ac...

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Bibliographic Details
Main Authors: Gong, Sheng, Wang, Shuo, Xie, Tian, Chae, Woo Hyun, Liu, Runze, Shao-Horn, Yang, Grossman, Jeffrey C.
Format: Article
Language:English
Published: American Chemical Society 2024
Online Access:https://hdl.handle.net/1721.1/154287