Ouyang, Niuchang, Zezhu Zeng, Chen Wang, Qi Wang, and Yue Chen. “Role of High-Order Lattice Anharmonicity in the Phonon Thermal Transport of Silver Halide AgX (X=Cl,Br, I).”https://doi.org/10.1103/PhysRevB.108.174302__Physical Review B. American Physical Society, 2023.https://doi.org/10.1103/PhysRevB.108.174302 .

Reinhardt, Aleks, Pin Yu Chew, and Bingqing Cheng. “A Streamlined Molecular-Dynamics Workflow for Computing Solubilities of Molecular and Ionic Crystals.”https://doi.org/10.1063/5.0173341__Journal of Chemical Physics. AIP Publishing, 2023.https://doi.org/10.1063/5.0173341 .

Cheng, Bingqing. “BingqingCheng/Solubility: .0.”https://doi.org/10.5281/ZENODO.8398094__Zenodo, 2023.https://doi.org/10.5281/ZENODO.8398094 .

Zeng, Zezhu, Felix Wodaczek, Keyang Liu, Frederick Stein, Jürg Hutter, Ji Chen, and Bingqing Cheng. “Mechanistic Insight on Water Dissociation on Pristine Low-Index TiO2 Surfaces from Machine Learning Molecular Dynamics Simulations.”https://doi.org/10.1038/s41467-023-41865-8__Nature Communications. Springer Nature, 2023.https://doi.org/10.1038/s41467-023-41865-8 .

Lee, Jacob G., Chris J. Pickard, and Bingqing Cheng. “High-Pressure Phase Behaviors of Titanium Dioxide Revealed by a -Learning Potential.”https://doi.org/10.1063/5.0079844__The Journal of Chemical Physics. AIP Publishing, 2022.https://doi.org/10.1063/5.0079844 .

Reinhardt, Aleks, Mandy Bethkenhagen, Federica Coppari, Marius Millot, Sebastien Hamel, and Bingqing Cheng. “Thermodynamics of High-Pressure Ice Phases Explored with Atomistic Simulations.”https://doi.org/10.1038/s41467-022-32374-1__Nature Communications. Springer Nature, 2022.https://doi.org/10.1038/s41467-022-32374-1 .

Poelking, Carl, Felix A Faber, and Bingqing Cheng. “BenchML: An Extensible Pipelining Framework for Benchmarking Representations of Materials and Molecules at Scale.”https://doi.org/10.1088/2632-2153/ac4d11__Machine Learning: Science and Technology. IOP Publishing, 2022.https://doi.org/10.1088/2632-2153/ac4d11 .

Cheng, Bingqing. “Computing Chemical Potentials of Solutions from Structure Factors.”https://doi.org/10.1063/5.0107059__The Journal of Chemical Physics. AIP Publishing, 2022.https://doi.org/10.1063/5.0107059 .

Glielmo, Aldo, Claudio Zeni, Bingqing Cheng, Gabor Csanyi, and Alessandro Laio. “Ranking the Information Content of Distance Measures.”https://doi.org/10.1093/pnasnexus/pgac039__PNAS Nexus. Oxford Academic, 2022.https://doi.org/10.1093/pnasnexus/pgac039 .