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Ping Tuo

Zezhu Zeng

Jialu CHEN

Bingqing Cheng

Mandy BETHKENHAGEN



18 Publications

2023 | Journal Article | IST-REx-ID: 14605
N. Ouyang, Z. Zeng, C. Wang, Q. Wang, and Y. Chen, “Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I),” Physical Review B, vol. 108, no. 17. American Physical Society, 2023.
View | DOI
 
2023 | Journal Article | IST-REx-ID: 14603 | OA
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.
[Published Version] View | Files available | DOI | arXiv
 
2023 | Research Data Reference | IST-REx-ID: 14619 | OA
B. Cheng, “BingqingCheng/solubility: V1.0.” Zenodo, 2023.
[Published Version] View | Files available | DOI | Download Published Version (ext.)
 
2023 | Journal Article | IST-REx-ID: 14425 | OA
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.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC | arXiv
 
2022 | Journal Article | IST-REx-ID: 10827 | OA
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.
[Preprint] View | DOI | Download Preprint (ext.) | WoS | arXiv
 
2022 | Journal Article | IST-REx-ID: 11937 | OA
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.
[Published Version] View | Files available | DOI | WoS | PubMed | Europe PMC
 
2022 | Journal Article | IST-REx-ID: 12128 | OA
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.
[Published Version] View | Files available | DOI | WoS
 
2022 | Journal Article | IST-REx-ID: 12249 | OA
B. Cheng, “Computing chemical potentials of solutions from structure factors,” The Journal of Chemical Physics, vol. 157, no. 12. AIP Publishing, 2022.
[Published Version] View | Files available | DOI | WoS
 

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