References#

[CGW+20]

Bingqing Cheng, Ryan-Rhys Griffiths, Simon Wengert, Christian Kunkel, Tamas Stenczel, Bonan Zhu, Volker L. Deringer, Noam Bernstein, Johannes T. Margraf, Karsten Reuter, and Gabor Csanyi. Mapping Materials and Molecules. Accounts of Chemical Research, 53(9):1981–1991, 2020. doi:10.1021/acs.accounts.0c00403.

[GZSC23]

Yu-Xin Guo, Yong-Bin Zhuang, Jueli Shi, and Jun Cheng. ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys. The Journal of Chemical Physics, 159(9):094801, 2023. doi:10.1063/5.0166858.

[HSK+19]

Si-Da Huang, Cheng Shang, Pei-Lin Kang, Xiao-Jie Zhang, and Zhi-Pan Liu. LASP: Fast global potential energy surface exploration. Wiley Interdisciplinary Reviews: Computational Molecular Science, 2019. doi:10.1002/wcms.1415.

[YWL23]

Shengheng Yan, Binju Wang, and Hai Lin. Tracking the delocalized proton in concerted proton transfer in bulk water. Journal of Chemical Theory and Computation, 19(2):448–459, 2023. doi:10.1021/acs.jctc.2c01097.