R. Cheng, Z. Zeng, C. Wang, N. Ouyang, and Y. Chen, “Impact of strain-insensitive low-frequency phonon modes on lattice thermal transport in AxX-type perovskites,” Physical Review B, vol. 109, no. 5. American Physical Society, 2024.

Z. Zeng et al., “Pushing thermal conductivity to its lower limit in crystals with simple structures,” Nature Communications, vol. 15. Springer Nature, 2024.

H. Dong et al., “Molecular dynamics simulations of heat transport using machine-learned potentials: A mini-review and tutorial on GPUMD with neuroevolution potentials,” Journal of Applied Physics, vol. 135, no. 16. AIP Publishing, 2024.

B. Cheng, S. Hamel, and M. Bethkenhagen, “Thermodynamics of diamond formation from hydrocarbon mixtures in planets,” Nature Communications, vol. 14. Springer Nature, 2023.

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.

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.

M. French, M. Bethkenhagen, A. Ravasio, and J. A. Hernandez, “Ab initio calculation of the reflectivity of molecular fluids under shock compression,” Physical Review B, vol. 107, no. 13. American Physical Society, 2023.

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.

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.

J.-A. Hernandez et al., “Melting curve of superionic ammonia at planetary interior conditions,” Nature Physics, vol. 19. Springer Nature, pp. 1280–1285, 2023.

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.

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.

B. Cheng, “BingqingCheng/solubility: .0.” Zenodo, 2023.

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.

J. G. Lee, C. J. Pickard, and B. Cheng, “High-pressure phase behaviors of titanium dioxide revealed by a -learning potential,” The Journal of chemical physics, vol. 156, no. 7. AIP Publishing, 2022.

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.

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.

B. Cheng, “Computing chemical potentials of solutions from structure factors,” The Journal of Chemical Physics, vol. 157, no. 12. AIP Publishing, 2022.

A. Glielmo, C. Zeni, B. Cheng, G. Csanyi, and A. Laio, “Ranking the information content of distance measures,” PNAS Nexus, vol. 1, no. 2. Oxford Academic, 2022.