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16 Publications
2024 | Journal Article | IST-REx-ID: 15052
Cheng, R., Zeng, Z., Wang, C., Ouyang, N., & Chen, Y. (2024). Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxXB6-type perovskites. Physical Review B. American Physical Society. https://doi.org/10.1103/physrevb.109.054305
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2023 | Journal Article | IST-REx-ID: 12702 | 
Cheng, B., Hamel, S., & Bethkenhagen, M. (2023). Thermodynamics of diamond formation from hydrocarbon mixtures in planets. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-36841-1
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2023 | Journal Article | IST-REx-ID: 12879 |
Chen, K., Kunkel, C., Cheng, B., Reuter, K., & Margraf, J. T. (2023). Physics-inspired machine learning of localized intensive properties. Chemical Science. Royal Society of Chemistry. https://doi.org/10.1039/d3sc00841j
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2023 | Journal Article | IST-REx-ID: 12912 |
Schmid, R., & Cheng, B. (2023). Computing chemical potentials of adsorbed or confined fluids. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0146711
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2023 | Journal Article | IST-REx-ID: 13039
French, M., Bethkenhagen, M., Ravasio, A., & Hernandez, J. A. (2023). Ab initio calculation of the reflectivity of molecular fluids under shock compression. Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.107.134109
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2023 | Journal Article | IST-REx-ID: 13231 |
Schörner, M., Bethkenhagen, M., Döppner, T., Kraus, D., Fletcher, L. B., Glenzer, S. H., & Redmer, R. (2023). X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula. Physical Review E. American Physical Society. https://doi.org/10.1103/PhysRevE.107.065207
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2023 | Journal Article | IST-REx-ID: 13216 |
Bunting, R., Wodaczek, F., Torabi, T., & Cheng, B. (2023). Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane. Journal of the American Chemical Society. American Chemical Society. https://doi.org/10.1021/jacs.3c04030
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2023 | Journal Article | IST-REx-ID: 13118
Hernandez, J.-A., Bethkenhagen, M., Ninet, S., French, M., Benuzzi-Mounaix, A., Datchi, F., … Ravasio, A. (2023). Melting curve of superionic ammonia at planetary interior conditions. Nature Physics. Springer Nature. https://doi.org/10.1038/s41567-023-02074-8
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2023 | Journal Article | IST-REx-ID: 14605
Ouyang, N., Zeng, Z., Wang, C., Wang, Q., & Chen, Y. (2023). Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I). Physical Review B. American Physical Society. https://doi.org/10.1103/PhysRevB.108.174302
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2023 | Journal Article | IST-REx-ID: 14603 |
Reinhardt, A., Chew, P. Y., & Cheng, B. (2023). A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0173341
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2023 | Research Data Reference | IST-REx-ID: 14619 |
Cheng, B. (2023). BingqingCheng/solubility: V1.0. Zenodo. https://doi.org/10.5281/ZENODO.8398094
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2023 | Journal Article | IST-REx-ID: 14425 |
Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., & Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-023-41865-8
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2022 | Journal Article | IST-REx-ID: 10827 |
Lee, J. G., Pickard, C. J., & Cheng, B. (2022). High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0079844
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2022 | Journal Article | IST-REx-ID: 11937 |
Reinhardt, A., Bethkenhagen, M., Coppari, F., Millot, M., Hamel, S., & Cheng, B. (2022). Thermodynamics of high-pressure ice phases explored with atomistic simulations. Nature Communications. Springer Nature. https://doi.org/10.1038/s41467-022-32374-1
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2022 | Journal Article | IST-REx-ID: 12128 |
Poelking, C., Faber, F. A., & Cheng, B. (2022). BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale. Machine Learning: Science and Technology. IOP Publishing. https://doi.org/10.1088/2632-2153/ac4d11
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2022 | Journal Article | IST-REx-ID: 12249 |
Cheng, B. (2022). Computing chemical potentials of solutions from structure factors. The Journal of Chemical Physics. AIP Publishing. https://doi.org/10.1063/5.0107059
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