Publications

• Improving atomic force microscopy structure discovery via style-translation - Jie Huang, Niko Oinonen, Fabio Priante, Filippo Federici Canova, Lauri Kurki, Chen Xu, and Adam S. Foster

  • npj Computational Materials (2025) [pdf]

• Sidestepping Intermolecular Hydrogen Bonds: How Single Water Molecules Adsorb and Assemble on the Calcite (104)-(2x1) Surface - Jonas Heggemann, Jie Huang, Simon Aeschlimann, Simon Spiller, Adam S Foster, and Philipp Rahe

  • ACS Nano 19 (2025) 26650 [pdf]

• Revisiting the thickness of the air-water interface from two extremes of interface hydrogen bond dynamics - Gang Huang and Jie Huang

  • J. Chem. Theory Comput. 20 (2024) 9107 [code] [pdf]

• Mechanism of Interaction of Water above the Methylammonium Lead Iodide Perovskite Nanocluster: Size Effect and Water-Induced Defective States - Jie Huang, Bowen Wang, Hejin Yan and Yongqing Cai

  • J. Phys. Chem. Lett. 15 (2024) 575 [code] [pdf]

• A machine learning model to classify dynamic processes in liquid water - Jie Huang, Gang Huang, and Shiben Li

  • ChemPhysChem, 23 (2022) 42 [cover] [pdf]

• Neural network model for structure factor of polymer systems - Jie Huang, Shiben Li, Xinghua Zhang, and Gang Huang

  • J. Chem. Phys. 153 (2020) 124902 [code] [pdf]