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Jiayan Xu

6PUBLICATIONS

48CO-AUTHORS

Main group metal chemistryDeep learningChemical and thermal processes in energy and combustionFormal methods for softwareComputational chemistry

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Publications (6)

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|Aug 08, 2025

Dynamic Metal-Support Interaction Dictates Cu Nanoparticle Sintering on Al<sub>2</sub>O<sub>3</sub> Surfaces.

Jiayan Xu, Shreeja Das, Amar Deep Pathak

|Nov 29, 2024

Leveraging Machine Learning Potentials for In-Situ Searching of Active sites in Heterogeneous Catalysis.

Xiran Cheng, Chenyu Wu, Jiayan Xu

|Nov 29, 2023

Unravelling the Impact of Metal Dopants and Oxygen Vacancies on Syngas Conversion over Oxides: A Machine Learning-Accelerated Study of CO Activation on Cr-Doped ZnO Surfaces.

Yulan Han, Jiayan Xu, Wenbo Xie

|Aug 01, 2023

DeePMD-kit v2: A software package for deep potential models.

Jinzhe Zeng, Duo Zhang, Denghui Lu

|May 01, 2023

Comprehensive Study of Oxygen Vacancies on the Catalytic Performance of ZnO for CO/H<sub>2</sub> Activation Using Machine Learning-Accelerated First-Principles Simulations.

Yulan Han, Jiayan Xu, Wenbo Xie

|Apr 20, 2022

Achieving Theory-Experiment Parity for Activity and Selectivity in Heterogeneous Catalysis Using Microkinetic Modeling.

Wenbo Xie, Jiayan Xu, Jianfu Chen

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Frequent Collaborators

4 joint publications

P Hu

3 joint publications

Wenbo Xie

2 joint publications

Roberto Car

1 joint publications

Haifeng Wang

1 joint publications

Jinzhe Zeng

1 joint publications

Duo Zhang

1 joint publications

Denghui Lu

1 joint publications

Pinghui Mo

1 joint publications

Zeyu Li

1 joint publications

Yixiao Chen

Frequent Collaborators

4 joint publications

P Hu

3 joint publications

Wenbo Xie

2 joint publications

Roberto Car

1 joint publications

Haifeng Wang

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