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references.bib
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@article{wang2022automated,
title={Automated workflow for computation of redox potentials, acidity constants, and solvation free energies accelerated by machine learning},
author={Wang, Feng and Cheng, Jun},
journal={The Journal of Chemical Physics},
volume={157},
number={2},
pages={024103},
year={2022},
publisher={AIP Publishing LLC}
}
@article{Guo2023checmate,
year = {2023},
keywords = {MyWork},
title = {{ChecMatE: A workflow package to automatically generate machine learning potentials and phase diagrams for semiconductor alloys}},
author = {Guo, Yu-Xin and Zhuang, Yong-Bin and Shi, Jueli and Cheng, Jun},
journal = {The Journal of Chemical Physics},
issn = {0021-9606},
doi = {10.1063/5.0166858},
pmid = {37655767},
pages = {094801},
number = {9},
volume = {159},
}
@article{Huang2019lasp,
year = {2019},
title = {{LASP: Fast global potential energy surface exploration}},
author = {Huang, Si-Da and Shang, Cheng and Kang, Pei-Lin and Zhang, Xiao-Jie and Liu, Zhi-Pan},
journal = {Wiley Interdisciplinary Reviews: Computational Molecular Science},
issn = {1759-0876},
doi = {10.1002/wcms.1415},
number = {6},
volume = {9},
keywords = {}
}
@article{Cheng2020mapping,
year = {2020},
title = {{Mapping Materials and Molecules}},
author = {Cheng, Bingqing and Griffiths, Ryan-Rhys and Wengert, Simon and Kunkel, Christian and Stenczel, Tamas and Zhu, Bonan and Deringer, Volker L. and Bernstein, Noam and Margraf, Johannes T. and Reuter, Karsten and Csanyi, Gabor},
journal = {Accounts of Chemical Research},
issn = {0001-4842},
doi = {10.1021/acs.accounts.0c00403},
pmid = {32794697},
pages = {1981--1991},
number = {9},
volume = {53},
keywords = {},
}
@article{yan2023tracking,
title={Tracking the delocalized proton in concerted proton transfer in bulk water},
author={Yan, Shengheng and Wang, Binju and Lin, Hai},
journal={Journal of Chemical Theory and Computation},
volume={19},
number={2},
pages={448--459},
year={2023},
publisher={ACS Publications},
doi = {10.1021/acs.jctc.2c01097}
}