学者信息
已发表成果：
WOK 论文 47 篇;其它论文 1 篇;图书及章节 2 本;
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MLatom 3: Platform for machine learning-enhanced computational chemistry simulations and workflows
arXiv,,2023-10-30.
Dral, Pavlo O. (1, 2); Ge, Fuchun (1, 2); Hou, Yi-Fan (1, 2); Zheng, Peikun (1, 2); Chen, Yuxinxin ...
EI:20230413385 10.48550/arXiv.2310.20155
收录情况：EI -
Energy-conserving molecular dynamics is not energy conserving
arXiv,,2023-08-22.
Zhang, Lina (1); Hou, Yi-Fan (1); Ge, Fuchun (1); Dral, Pavlo O. (1)
EI:20230315839 10.48550/arXiv.2308.11305
收录情况：EI -
Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models
JOURNAL OF PHYSICAL CHEMISTRY LETTERS,1948-7185,2023-08-22.
Ge, Fuchun; Zhang, Lina; Hou, Yi-Fan; Chen, Yuxinxin; Ullah, Arif; Dral, Pavlo O.
WOS:001052743800001 EI:20233714702949 10.1021/acs.jpclett.3c01592
收录情况：SCIE、EI -
Four-Dimensional-Spacetime Atomistic Artificial Intelligence Models
arXiv,,2023-08-22.
Ge, Fuchun (1); Zhang, Lina (1); Hou, Yi-Fan (1); Chen, Yuxinxin (1); Ullah, Arif (2); Dral, Pavlo ...
EI:20230307432 10.48550/arXiv.2308.11311
收录情况：EI -
Energy-conserving molecular dynamics is not energy conserving
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076,2023-08-14.
Zhang, Lina; Hou, Yi-Fan; Ge, Fuchun; Dral, Pavlo O.
WOS:001059862200001 10.1039/d3cp03515
收录情况：SCIE -
Themed collection on Insightful Machine Learning for Physical Chemistry
PHYSICAL CHEMISTRY CHEMICAL PHYSICS,1463-9076,2023-07-13.
Clark, Aurora E.; Dral, Pavlo O.; Tamblyn, Isaac; Isayev, Olexandr
WOS:001030282900001 EI:20233114471199 10.1039/d3cp90129g
收录情况：SCIE、EI -
Photo-Driven Aerobic Methane Nitration
INORGANIC CHEMISTRY,0020-1669,2023-06-21.
He, Xuefeng; Zhang, Lina; Chen, Jiawei; Liu, Huichong; Su, Yuming; Li, Han; Cao, Yonghua; Dral, Pav...
WOS:001016686600001 EI:20232814386269 10.1021/acs.inorgchem.3c01210
收录情况：SCIE、EI -
MLQD: A package for machine learning-based quantum dissipative dynamics
arXiv,,2023-02-28.
Ullah, Arif (1); Dral, Pavlo O. (1)
EI:20230082460 10.48550/arXiv.2303.01264
收录情况：EI -
Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights
Journal of Chemical Physics,0021-9606,2023-02-21.
Chen, Yuxinxin; Ou, Yanchi; Zheng, Peikun; Huang, Yaohuang; Ge, Fuchun; Dral, Pavlo O.
WOS:000933631400009 EI:20230913640326 10.1063/5.0137101
收录情况：SCIE、EI -
QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets
arXiv,,2023-01-28.
Ullah, Arif (1); Herrera Rodríguez, Luis E. (2); Dral, Pavlo O. (1); Kananenka, Alexei A. (2)
EI:20230037220 10.48550/arXiv.2301.12096
收录情况：EI -
Interpretable Machine Learning of Two-Photon Absorption
ADVANCED SCIENCE,,2023-01.
Su, Yuming; Dai, Yiheng; Zeng, Yifan; Wei, Caiyun; Chen, Yangtao; Ge, Fuchun; Zheng, Peikun; Zhou, ...
WOS:000915415500001 EI:20230513468577 10.1002/advs.202204902
收录情况：SCIE、EI -
Tunable Macrocyclic Polyparaphenylene Nanolassos via Copper-Free Click Chemistry
Chemistry - A European Journal,0947-6539,2023.
Schaub, Tobias A.; Zieleniewska, Anna; Kaur, Ramandeep; Minameyer, Martin; Yang, Wudi; Schuesslbaue...
WOS:000976981700001 EI:20231814027159 10.1002/chem.202300668
收录情况：SCIE、EI -
QD3SET-1: a database with quantum dissipative dynamics datasets
Frontiers in Physics,2296-424X,2023.
Ullah, Arif; Rodriguez, Luis Herrera E.; Dral, Pavlo O.; Kananenka, Alexei A.
WOS:001052117000001 EI:20233414609147 10.3389/fphy.2023.1223973
收录情况：SCIE、EI -
Energy-conserving molecular dynamics is not energy conserving
Physical Chemistry Chemical Physics,1463-9076,2023.
Zhang, Lina; Hou, Yi-Fan; Ge, Fuchun; Dral, Pavlo O.
WOS:001063612200001 EI:20233714707071 10.1039/d3cp03515h
收录情况：SCIE、EI