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 .
LibreCat: https://research-explorer.ista.ac.at/record/14605
DOI: 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 .
LibreCat: https://research-explorer.ista.ac.at/record/14603
DOI: 10.1063/5.0173341
arXiv: 2308.10886

Cheng, Bingqing. “BingqingCheng/Solubility: .0.”https://doi.org/10.5281/ZENODO.8398094__Zenodo, 2023.https://doi.org/10.5281/ZENODO.8398094 .
LibreCat: https://research-explorer.ista.ac.at/record/14619
DOI: 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 .
LibreCat: https://research-explorer.ista.ac.at/record/14425
DOI: 10.1038/s41467-023-41865-8
WoS: 001084354900008
PMID: 37783698
arXiv: 2303.07433

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 .
LibreCat: https://research-explorer.ista.ac.at/record/10827
DOI: 10.1063/5.0079844
WoS: 000796704500014
arXiv: 2111.12968

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 .
LibreCat: https://research-explorer.ista.ac.at/record/11937
DOI: 10.1038/s41467-022-32374-1
WoS: 000838655300022
PMID: 35948550

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 .
LibreCat: https://research-explorer.ista.ac.at/record/12128
DOI: 10.1088/2632-2153/ac4d11
WoS: 000886534000001

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 .
LibreCat: https://research-explorer.ista.ac.at/record/12249
DOI: 10.1063/5.0107059
WoS: 000862856000003

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 .
LibreCat: https://research-explorer.ista.ac.at/record/9695
DOI: 10.1093/pnasnexus/pgac039
arXiv: 2104.15079