Mengnan Cui

Fritz Haber Institute of the Max Planck Society — Germany

Materials Science · Physical Sciences

5h-index65citations7works9.32yr avg
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Research Topics

Machine Learning in Materials Science(7), Computational Drug Discovery Methods(2), Electron and X-Ray Spectroscopy Techniques(2), Advanced Chemical Physics Studies(1), Zeolite Catalysis and Synthesis(1)

Publications7 total

Crash testing machine learning force fields for molecules, materials, and interfaces: molecular dynamics in the TEA challenge 2023
Chemical Science·2025· 12 citedOpen Access
Crash testing machine learning force fields for molecules, materials, and interfaces: model analysis in the TEA Challenge 2023
Chemical Science·2025· 10 citedOpen Access
Multi-Fidelity Transfer Learning for Quantum Chemical Data Using A Robust Density Functional Tight Binding Baseline
2024· 1 citedOpen Access
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Model Analysis in the TEA Challenge 2023
2024· 7 cited
Crash Testing Machine Learning Force Fields for Molecules, Materials, and Interfaces: Molecular Dynamics in the TEA Challenge 2023
2024· 5 cited
Obtaining Robust Density Functional Tight-Binding Parameters for Solids across the Periodic Table
Journal of Chemical Theory and Computation·2024· 27 cited
Obtaining Robust Density Functional Tight Binding Parameters for Solids Across the Periodic Table
2024· 3 citedOpen Access

Frequent Co-authors

Johannes T. Margraf(7), Igor Poltavsky(4), Mirela Puleva(4), Anton Charkin-Gorbulin(4), Grégory Fonseca(4), Ilyes Batatia(4), Nicholas J. Browning(4), Stefan Chmiela(4), J. Thorben Frank(4), Stefan Heinen(4), Bing Huang(4), Silvan Käser(4), Adil Kabylda(4), Danish Khan(4), Carolin Müller(4), Alastair J. A. Price(4), Kai Riedmiller(4), Kai Töpfer(4), Tsz Wai Ko(4), Markus Meuwly(4)