个人简历：
教育经历：
(1) 2004-09 至 2008-06, 乌克兰国立技术大学, 化学技术和工程, 学士
(2) 2008-10 至 2010-04, 埃尔朗根-纽伦堡大学, 分子科学, 硕士
(3) 2008-09 至 2010-06, 乌克兰国立技术大学, 化学技术和工程, 硕士
(4) 2010-04 至 2013-10, 埃尔朗根-纽伦堡大学, 化学, 博士
工作经历：
(1) 2013-11 至 2019-09, 马克斯-普朗克煤炭研究所
(2) 2019-10 至 2021-12, 厦门大学, 化学化工学院, 副教授
(3) 2021-12 至今, 厦门大学, 化学化工学院, 教授
研究兴趣：
Prof. Pavlo O. Dral's research is focused on AI-enhanced computational chemistry, for which he founded the MLatom package (downloaded >80k times from PyPI) and co-founded the Xiamen Atomistic Computing Suite (online platform with over 2000 online users). Pavlo O. Dral is the author of ca. 80 publications cited 6200 times (h-index 31), including publications in Adv. Sci. (2), Nat. Comm. (2), and Nat. Rev. Chem. (1). He serves on the Editorial Boards of Machine Learning: Science and Technology, Artificial Intelligence Chemistry, and SciPost Chemistry. He was an editor and contributor to the book Quantum Chemistry in the Age of Machine Learning and the author of the online course Modern Computational Chemistry and AI with MLatom@XACS.
近期主要代表论著：
1. Yuting Rui†, Yuxinxin Chen†, Elena Ivanova, Vignesh Balaji Kumar, Szymon Śmiga, Ireneusz Grabowski, Pavlo O. Dral*. The best DFT functional is the ensemble of functionals. Adv. Sci. 2024, 11, 2408239. DOI: 10.1002/advs.202408239.
2. Pavlo O. Dral*, Fuchun Ge, Yi-Fan Hou, Peikun Zheng, Yuxinxin Chen, Mario Barbatti, Olexandr Isayev, Cheng Wang, Bao-Xin Xue, Max Pinheiro Jr, Yuming Su, Yiheng Dai, Yangtao Chen, Lina Zhang, Shuang Zhang, Arif Ullah, Quanhao Zhang, Yanchi Ou. MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and Workflows. J. Chem. Theory Comput. 2024, 20, 1193–1213. DOI: 10.1021/acs.jctc.3c01203
3. Fuchun Ge, Lina Zhang, Yi-Fan Hou, Yuxinxin Chen, Arif Ullah, Pavlo O. Dral*. Four-dimensional-spacetime atomistic artificial intelligence models. J. Phys. Chem. Lett. 2023, 14, 7732–7743. DOI: 10.1021/acs.jpclett.3c01592.
4. Arif Ullah*, Pavlo O. Dral*. Predicting the future of excitation energy transfer in light-harvesting complex with artificial intelligence-based quantum dynamics. Nat. Commun. 2022, 13, 1930. DOI: 10.1038/s41467-022-29621-w.
5. Peikun Zheng, Roman Zubatyuk, Wei Wu, Olexandr Isayev*, Pavlo O. Dral*. Artificial Intelligence-Enhanced Quantum Chemical Method with Broad Applicability. Nat. Commun. 2021, 12, 7022. DOI: 10.1038/s41467-021-27340-2.
6. Max Pinheiro Jr*, Fuchun Ge, Nicolas Ferré, Pavlo O. Dral*, Mario Barbatti*. Choosing the right molecular machine learning potential. Chem. Sci. 2021, 12, 14396–14413. DOI: 10.1039/D1SC03564A.
