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Mengnan Cui

4 results in Authors: Mengnan Cui

Theoretical and Computational Chemistry

Multi-Fidelity Transfer Learning for Quantum Chemical Data Using A Robust Density Functional Tight Binding Baseline

Mengnan Cui, Karsten Reuter, Johannes T. Margraf

Version 1 posted 22 November 2024

224

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Theoretical and Computational Chemistry

Obtaining Robust Density Functional Tight Binding Parameters for Solids Across the Periodic Table

Mengnan Cui, Karsten Reuter, Johannes T. Margraf

Version 1 posted 23 February 2024

468

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Physical Chemistry

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023

Igor Poltavsky, Anton Charkin-Gorbulin, Mirela Puleva, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Version 1 posted 27 September 2024

778

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Physical Chemistry

Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023

Igor Poltavsky, Mirela Puleva, Anton Charkin-Gorbulin, Gregory Cordeiro Fonseca, Ilyes Batatia, Nicholas J. Browning, Stefan Chmiela, Mengnan Cui, J. Thorben Frank, Stefan Heinen, Bing Huang, Silvan Käser, Adil Kabylda, Danish Khan, Carolin Müller, Alastair J. A. Price, Kai Riedmiller, Kai Töpfer, Tsz Wai Ko, Markus Meuwly, Matthias Rupp, Gabor Csanyi, O. Anatole von Lilienfeld, Johannes T. Margraf, Klaus-Robert Müller, Alexandre Tkatchenko

Version 1 posted 27 September 2024

759

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