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24 Publications
2022 | Published | Journal Article | IST-REx-ID: 10827 | 
Lee JG, Pickard CJ, Cheng B. 2022. High-pressure phase behaviors of titanium dioxide revealed by a Δ-learning potential. The Journal of chemical physics. 156(7), 074106.
[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. 13, 4707.
[Published Version]
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| PubMed | Europe PMC
2022 | Published | Journal Article | IST-REx-ID: 12128 |
Poelking C, Faber FA, Cheng B. 2022. BenchML: An extensible pipelining framework for benchmarking representations of materials and molecules at scale. Machine Learning: Science and Technology. 3(4), 040501.
[Published Version]
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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. 157(12), 121101.
[Published Version]
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