Machine Learning in Materials Chemistry: An Invitation

Machine Learning in Materials Chemistry: An Invitation

Materials chemistry is being profoundly influenced by the uptake of machine learning methodologies. Machine learning techniques, in combination with established techniques from computational physics, promise to accelerate the discovery of new materials by elucidating complex structure–property relat...

Full description

Bibliographic Details
Main Authors: Daniel Packwood, Linh Thi Hoai Nguyen, Pierluigi Cesana, Guoxi Zhang, Aleksandar Staykov, Yasuhide Fukumoto, Dinh Hoa Nguyen
Format: Article
Language:English
Published: Elsevier 2022-06-01
Series:Machine Learning with Applications
Subjects:
Materials chemistry
Kernelized machine learning
Density functional theory
Bayesian optimization
Ensemble methods
Reinforcement learning
Online Access:http://www.sciencedirect.com/science/article/pii/S2666827022000093

Internet

http://www.sciencedirect.com/science/article/pii/S2666827022000093

Similar Items