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Peter Zaspel

Evaluation of uncertainty estimations for Gaussian process regression based machine learning interatomic potentials

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Oct 27, 2024
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Investigating Data Hierarchies in Multifidelity Machine Learning for Excitation Energies

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Oct 15, 2024
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Benchmarking Data Efficiency in $Δ$-ML and Multifidelity Models for Quantum Chemistry

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Oct 15, 2024
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Assessing Non-Nested Configurations of Multifidelity Machine Learning for Quantum-Chemical Properties

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Jul 24, 2024
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Data-driven identification of port-Hamiltonian DAE systems by Gaussian processes

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Jun 26, 2024
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CheMFi: A Multifidelity Dataset of Quantum Chemical Properties of Diverse Molecules

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Jun 20, 2024
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Multi-Fidelity Machine Learning for Excited State Energies of Molecules

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May 18, 2023
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Towards data-driven filters in Paraview

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Aug 12, 2021
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