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16 Publications
2023 | Journal Article | IST-REx-ID: 12702 | 
B. Cheng, S. Hamel, and M. Bethkenhagen, “Thermodynamics of diamond formation from hydrocarbon mixtures in planets,” Nature Communications, vol. 14. Springer Nature, 2023.
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2023 | Journal Article | IST-REx-ID: 12879 |
K. Chen, C. Kunkel, B. Cheng, K. Reuter, and J. T. Margraf, “Physics-inspired machine learning of localized intensive properties,” Chemical Science. Royal Society of Chemistry, 2023.
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2023 | Journal Article | IST-REx-ID: 12912 |
R. Schmid and B. Cheng, “Computing chemical potentials of adsorbed or confined fluids,” The Journal of Chemical Physics, vol. 158, no. 16. AIP Publishing, 2023.
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| arXiv
2023 | Journal Article | IST-REx-ID: 13231 |
M. Schörner et al., “X-ray Thomson scattering spectra from density functional theory molecular dynamics simulations based on a modified Chihara formula,” Physical Review E, vol. 107, no. 6. American Physical Society, 2023.
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2023 | Journal Article | IST-REx-ID: 13216 |
R. Bunting, F. Wodaczek, T. Torabi, and B. Cheng, “Reactivity of single-atom alloy nanoparticles: Modeling the dehydrogenation of propane,” Journal of the American Chemical Society, vol. 145, no. 27. American Chemical Society, pp. 14894–14902, 2023.
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2023 | Journal Article | IST-REx-ID: 13118
J.-A. Hernandez et al., “Melting curve of superionic ammonia at planetary interior conditions,” Nature Physics, vol. 19. Springer Nature, pp. 1280–1285, 2023.
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2023 | Journal Article | IST-REx-ID: 14603 |
A. Reinhardt, P. Y. Chew, and B. Cheng, “A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals,” Journal of Chemical Physics, vol. 159, no. 18. AIP Publishing, 2023.
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2023 | Research Data Reference | IST-REx-ID: 14619 |
B. Cheng, “BingqingCheng/solubility: V1.0.” Zenodo, 2023.
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2023 | Journal Article | IST-REx-ID: 14425 |
Z. Zeng et al., “Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations,” Nature Communications, vol. 14. Springer Nature, 2023.
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| arXiv
2022 | Journal Article | IST-REx-ID: 10827 |
J. G. Lee, C. J. Pickard, and B. Cheng, “High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential,” The Journal of chemical physics, vol. 156, no. 7. AIP Publishing, 2022.
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| arXiv
2022 | Journal Article | IST-REx-ID: 11937 |
A. Reinhardt, M. Bethkenhagen, F. Coppari, M. Millot, S. Hamel, and B. Cheng, “Thermodynamics of high-pressure ice phases explored with atomistic simulations,” Nature Communications, vol. 13. Springer Nature, 2022.
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2022 | Journal Article | IST-REx-ID: 12128 |
C. Poelking, F. A. Faber, and B. Cheng, “BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale,” Machine Learning: Science and Technology, vol. 3, no. 4. IOP Publishing, 2022.
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2022 | Journal Article | IST-REx-ID: 12249 |
B. Cheng, “Computing chemical potentials of solutions from structure factors,” The Journal of Chemical Physics, vol. 157, no. 12. AIP Publishing, 2022.
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