most citedNon-parametric Local Pseudopotentials with Machine Learning: a Tin Pseudopotential Built Using Gaussian Process Regression

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cond-mat.mtrl-sci2020★ 22 cited

Non-parametric Local Pseudopotentials with Machine Learning: a Tin Pseudopotential Built Using Gaussian Process Regression

Johann Lueder, Sergei Manzhos

We present novel non-parametric representation math for local pseudopotentials (PP) based on Gaussian Process Regression (GPR). Local pseudopotentials are needed for materials simu…