Publications of Xiaojuan Hu
All genres
Journal Article (6)
2023
2022
Journal Article
Hu, X., M.-O. Lenz and C. Baldauf: Better force fields start with better data: A data set of cation dipeptide interactions. Scientific Data 9, 327 (2022).
2021
Journal Article
X. Hu, , and : Discovery of Quantitative Electronic Structure-OER Activity Relationship in Metal-Organic Framework Electrocatalysts Using an Integrated Theoretical-Experimental Approach. Advanced Functional Materials 31 (33), 2102066 (2021).
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Journal Article
X. Hu, , C. Baldauf, and : Benchmarking polarizable and non-polarizable force fields for Ca2+-peptides against a comprehensive QM dataset. The Journal of Chemical Physics 153 (14), 144102 (2020).
, Working Paper (2)
2023
Working Paper
X. Hu and : Unraveling the Formation Mechanism of Oxygen Vacancy on the Surface of Transition Metal-Doped Ceria Utilizing Artificial Intelligence., in press.
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Working Paper
X. Hu, , , , , , and : Data analytics accelerates the experimental discovery of new thermoelectric materials with extremely high figure of merit., in press.
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