Convenient and efficient development of Machine Learning Interatomic Potentials
Online Presentations | 09 Mar 2021 | Contributor(s): Yunxing Zuo
This tutorial introduces the concepts of machine learning interatomic potentials (ML-IAPs) in materials science, including two components of local environment atomic descriptors and machine learning models.
Materials Graph Network
Tools | 27 Jan 2021 | Contributor(s): Chi Chen, Yunxing Zuo
Materials Graph Networks for molecule and crystal structure-property relationship modeling
Machine Learning Force Field for Materials
Tools | 25 Jan 2021 | Contributor(s): Chi Chen, Yunxing Zuo
Machine learning force field for materials
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