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Hyunwook Jung

3 results in Authors: Hyunwook Jung

Theoretical and Computational Chemistry

Estimating Free Energy Barriers for Heterogeneous Catalytic Reactions with Machine Learning Potentials and Umbrella Integration

Sina Stocker, Hyunwook Jung, Gábor Csányi, C. Franklin Goldsmith, Karsten Reuter, Johannes T. Margraf

Version 1 posted 30 May 2023

684

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1

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Theoretical and Computational Chemistry

Machine-Learning Driven Global Optimization of Surface Adsorbate Geometries

Hyunwook Jung, Lena Sauerland, Sina Stocker, Karsten Reuter, Johannes T. Margraf

Version 3 posted 08 June 2023

820

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Theoretical and Computational Chemistry

Size-Extensive Molecular Machine Learning with Global Descriptors

Hyunwook Jung, Sina Stocker, Christian Kunkel, Harald Oberhofer, Byungchan Han, Karsten Reuter, Johannes T. Margraf

Version 1 posted 22 October 2019

841

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1

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