most citedEnhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices

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physics.chem-ph2024★ 2 cited

Enhancing the Quality and Reliability of Machine Learning Interatomic Potentials through Better Reporting Practices

Tristan Maxson, Ademola Soyemi, Benjamin W. J. Chen +1

Recent developments in machine learning interatomic potentials (MLIPs) have empowered even non-experts in machine learning to train MLIPs for accelerating materials simulations. Ho…