most citedA study of simulating Raman spectra for alkanes with a machine learning-based polarizability model

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physics.comp-ph2021★ 1 cited

Training Data Set Refinement for the Machine Learning Potential of Li-Si Alloys via Structural Similarity Analysis

Nan Xu, Chen Li, Mandi Fang +4

Machine learning potential enables molecular dynamics simulations of systems beyond the capability of classical force fields. The traditional approach to develop structural sets fo…