Ouyang, N., Zeng, Z., Wang, C., Wang, Q., &; Chen, Y. (2023). Role of high-order lattice anharmonicity in the phonon thermal transport of silver halide AgX (X=Cl,Br, I). Physical Review B. American Physical Society.https://doi.org/10.1103/PhysRevB.108.174302 
LibreCat: https://research-explorer.ista.ac.at/record/14605
DOI: 10.1103/PhysRevB.108.174302

Reinhardt, A., Chew, P. Y., &; Cheng, B. (2023). A streamlined molecular-dynamics workflow for computing solubilities of molecular and ionic crystals. Journal of Chemical Physics. AIP Publishing.https://doi.org/10.1063/5.0173341 
LibreCat: https://research-explorer.ista.ac.at/record/14603
DOI: 10.1063/5.0173341
arXiv: 2308.10886

Cheng, B. (2023). BingqingCheng/solubility: .0. Zenodo.https://doi.org/10.5281/ZENODO.8398094 
LibreCat: https://research-explorer.ista.ac.at/record/14619
DOI: 10.5281/ZENODO.8398094

Zeng, Z., Wodaczek, F., Liu, K., Stein, F., Hutter, J., Chen, J., &; Cheng, B. (2023). Mechanistic insight on water dissociation on pristine low-index TiO2 surfaces from machine learning molecular dynamics simulations. Nature Communications. Springer Nature.https://doi.org/10.1038/s41467-023-41865-8 
LibreCat: https://research-explorer.ista.ac.at/record/14425
DOI: 10.1038/s41467-023-41865-8
WoS: 001084354900008
PMID: 37783698
arXiv: 2303.07433

Lee, J. G., Pickard, C. J., &; Cheng, B. (2022). High-pressure phase behaviors of titanium dioxide revealed by a -learning potential. The Journal of Chemical Physics. AIP Publishing.https://doi.org/10.1063/5.0079844 
LibreCat: https://research-explorer.ista.ac.at/record/10827
DOI: 10.1063/5.0079844
WoS: 000796704500014
arXiv: 2111.12968

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 
LibreCat: https://research-explorer.ista.ac.at/record/11937
DOI: 10.1038/s41467-022-32374-1
WoS: 000838655300022
PMID: 35948550

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 
LibreCat: https://research-explorer.ista.ac.at/record/12128
DOI: 10.1088/2632-2153/ac4d11
WoS: 000886534000001

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 
LibreCat: https://research-explorer.ista.ac.at/record/12249
DOI: 10.1063/5.0107059
WoS: 000862856000003

Glielmo, A., Zeni, C., Cheng, B., Csanyi, G., &; Laio, A. (2022). Ranking the information content of distance measures. PNAS Nexus. Oxford Academic.https://doi.org/10.1093/pnasnexus/pgac039 
LibreCat: https://research-explorer.ista.ac.at/record/9695
DOI: 10.1093/pnasnexus/pgac039
arXiv: 2104.15079