How to cite MLatom?
Please use the following reference for the current version of MLatom:
- Pavlo O. Dral, MLatom: A Program Package for Quantum Chemical Research Assisted by Machine Learning. J. Comput. Chem. 2019, 40, 2339β2347. DOI: 10.1002/jcc.26004.
- Pavlo O. Dral, Fuchun Ge, Bao-Xin Xue, Yi-Fan Hou, Max Pinheiro Jr, Jianxing Huang, Mario Barbatti, MLatom 2: An Integrative Platform for Atomistic Machine Learning. Top. Curr. Chem. 2021, 379, 27. DOI: 10.1007/s41061-021-00339-5.
- Pavlo O. Dral, Peikun Zheng, Bao-Xin Xue, Fuchun Ge, Yi-Fan Hou, Max Pinheiro Jr, MLatom: A Package for Atomistic Simulations with Machine Learning, version 2.2. Xiamen University, Xiamen, China, 2013β2022. http://MLatom.com.
Please also cite the relevant literature for the features you used. Suggested citations are provided in above paper in J. Comput. Chem., on Features page in form of web links, and can be found in the output of MLatom.
Citations for older releases can be found here.
You can also copy/paste above citations in BibTeX format:
@article{JCC2019_Dral_MLatom,
author = {Dral, Pavlo O.},
title = {MLatom: A Program Package for Quantum Chemical Research Assisted by Machine Learning},
journal = {J. Comput. Chem.},
volume = {40},
number = {26},
pages = {2339--2347},
DOI = {10.1002/jcc.26004},
year = {2019},
type = {Journal Article}
}
@article{TCC_MLatom2,
author = {Dral, Pavlo O. and Ge, Fuchun and Xue, Bao-Xin and Hou, Yi-Fan and Pinheiro Jr, Max and Huang, Jianxing and Barbatti, Mario},
title = {MLatom 2: An Integrative Platform for Atomistic Machine Learning},
journal = {Top. Curr. Chem.},
volume = {379},
number = {4},
pages = {27},
ISSN = {2365-0869
2364-8961},
DOI = {10.1007/s41061-021-00339-5},
year = {2021},
type = {Journal Article}
}
@Manual{MLatom233,
Title = {\textit{MLatom}: a Package for Atomistic Simulations with Machine Learning, version 2.3.3. \href{http://MLatom.com}{http://MLatom.com} (accessed on January 10, 2023)},
Address = {Xiamen 361005, China},
Author = {Pavlo O. Dral and Peikun Zheng and Bao-Xin Xue and Fuchun Ge and Yi-Fan Hou and Max Pinheiro, Jr and Yuming Su and Yiheng Dai and Yangtao Chen},
Organization = {Xiamen University},
Year = {2013--2023},
HowPublished = {Xiamen University, Xiamen, China},
Institution = {Xiamen University},
Publisher = {Xiamen University}
}