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Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial On Methods and Applications by marjan famili is a document available to read on EtoBox.

What is Fine-Tuning Universal Machine-Learned Interatomic Potentials: A Tutorial On Methods and Applications about?

This tutorial provides a comprehensive guide on fine-tuning Universal Machine-Learned Interatomic Potentials (U-MLIPs) for computational materials modeling, focusing on the MACE-MP-0 model. It covers essential aspects such as dataset preparation, hyperparameter selection, model training, and validation, supported by practical code examples. The tutorial aims to assist researchers, especially beginners, in effectively incorporating fine-tuned U-MLIPs into their workflows for various atomistic simulations.

Author

marjan famili

Language

EN