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Matthias Scheffler

Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning

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Sep 18, 2024
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From Prediction to Action: Critical Role of Performance Estimation for Machine-Learning-Driven Materials Discovery

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Dec 07, 2023
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Extrapolation to complete basis-set limit in density-functional theory by quantile random-forest models

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Mar 31, 2023
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Heat flux for semi-local machine-learning potentials

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Mar 28, 2023
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TCMI: a non-parametric mutual-dependence estimator for multivariate continuous distributions

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Jan 30, 2020
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