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24 Publications
2022 | Published | 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
[Preprint]
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| arXiv
2022 | Published | 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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| PubMed | Europe PMC
2022 | Published | 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 | Published | 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
[Published Version]
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