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Haide Wu

4 results in Authors: Haide Wu

Theoretical and Computational Chemistry

Improved Configurational Sampling Protocol for Large Atmospheric Molecular Clusters

Haide Wu, Morten Engsvang, Yosef Knattrup, Jakub Kubečka, Jonas Elm

Version 1 posted 04 September 2023

125

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1

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Theoretical and Computational Chemistry

Iodine in the Atmosphere I: Computational Benchmark and Dimer Formation of Oxy-acids and Oxides

Morten Engsvang, Haide Wu, Jonas Elm

Version 1 posted 07 February 2024

179

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Theoretical and Computational Chemistry

Reparameterization of GFN1-xTB for Atmospheric Molecular Clusters: Applications to Multi-Acid–Multi-Base Systems

Yosef Knattrup, Jakub Kubečka, Haide Wu, Frank Jensen, Jonas Elm

Version 1 posted 18 April 2024

123

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Earth, Space, and Environmental Chemistry

Ab Initio Molecular Dynamics Simulations of Atmospheric Molecular Clusters Boosted by Neural Networks

Jakub Kubečka, Daniel Ayoubi, Zeyuan Tang, Yosef Knattrup, Morten Engsvang, Haide Wu, Jonas Elm

Version 1 posted 01 July 2024

231

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