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Yuxinxin Chen

xiamen university

8H指数
30论文数
195被引数
收录论文 10
发表时间
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Integrating Machine Learning Interatomic Potentials with MMPBSA for Accurate Protein–Ligand Binding Free Energy Calculations将机器学习原子间势能函数与MMPBSA相结合，用于精确的蛋白质-配体结合自由能计算
errThe Journal of Physical Chemistry B
IF2.9
err2026-05-04
err0
PREAI
errXue-Xin Wei; Yuxinxin Chen; Yuedong Yang; Mingyuan Xu; Pavlo O. Dral; Hongming Chen
err分享
err收藏
AIQM3: Targeting Coupled-Cluster Accuracy with Semi-Empirical Speed across Seven Main-Group ElementsAIQM3：在七个主族元素上以半经验速度实现耦合簇精度
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-14
err0
PREAI
errYuxinxin Chen; Yi-Fan Hou; Roman Zubatyuk; Olexandr Isayev; Pavlo O. Dral
err分享
err收藏
Artificial Intelligence for Direct Prediction of Molecular Dynamics across Chemical Space人工智能用于直接预测化学空间中的分子动力学
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-01
err0
PREAI
errGe, Fuchun; Chen, Yuxinxin; Dral, Pavlo O.
err分享
err收藏
AIQM2: Organic Reaction Simulations Beyond DFTAIQM2: 有机反应模拟超越DFT
errChem. Sci.
IF7.4
err2025-08-07
err0
errOAAI
errYuxinxin Pavlo O. Chen; Pavlo O. Dral
err分享
err收藏
Molecular quantum chemical data sets and databases for machine learning potentials用于机器学习潜力的分子量子化学数据集和数据库
errMACHINE LEARNING-SCIENCE AND TECHNOLOGY
IF4.6
err2024-11-19
err0
errOAAI
errUllah, Arif; Chen, Yuxinxin; Dral, Pavlo O.
err分享
err收藏
The Best DFT Functional Is the Ensemble of Functionals
errADVANCED SCIENCE
IF14.1
err2024-10-25
err0
errOAAI
errRui, Yuting; Chen, Yuxinxin; Ivanova, Elena; Kumar, Vignesh Balaji; Smiga, Szymon; Grabowski, Ireneusz; Dral, Pavlo O.
err分享
err收藏
MLatom Software Ecosystem for Surface Hopping Dynamics in Python with Quantum Mechanical and Machine Learning Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-06-05
err9
errOAAI
errZhang, Lina; Pios, Sebastian V.; Martyka, Mikolaj; Ge, Fuchun; Hou, Yi-Fan; Chen, Yuxinxin; Chen, Lipeng; Jankowska, Joanna; Barbatti, Mario; Dral, Pavlo O.
err分享
err收藏
MLatom 3: A Platform for Machine Learning-Enhanced Computational Chemistry Simulations and WorkflowsMLatom 3: 用于机器学习增强的计算化学模拟和工作流程的平台
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-01-25
err20
errOAAI
errDral, Pavlo O.; Ge, Fuchun; Hou, Yi-Fan; Zheng, Peikun; Chen, Yuxinxin; Barbatti, Mario; Isayev, Olexandr; Wang, Cheng; Xue, Bao-Xin; Pinheiro Jr, Max; Su, Yuming; Dai, Yiheng; Chen, Yangtao; Zhang, Lina; Zhang, Shuang; Ullah, Arif; Zhang, Quanhao; Ou, Yanchi
err分享
err收藏
Benchmark of general-purpose machine learning-based quantum mechanical method AIQM1 on reaction barrier heights
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-02-15
err11
PREAI
errChen, Yuxinxin; Ou, Yanchi; Zheng, Peikun; Huang, Yaohuang; Ge, Fuchun; Dral, Pavlo O.
err分享
err收藏
One to Rule Them All: A Universal Interatomic Potential Learning across Quantum Chemical Levels一统全局：跨越量子化学级别的通用原子间势能学习
errJournal of Chemical Theory and Computation
IF5.5
err
err0
PREAI
errYuxinxin Chen; Pavlo O. Dral
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
S
Shuang Zhang
H 指数: 101 · 论文数: 1.1K
王
王程 (Cheng Wang)
H 指数: 80 · 论文数: 570
杨跃东 封面图
杨跃东 (Yuedong Yang)
H 指数: 61 · 论文数: 375
M
Mario Barbatti
H 指数: 58 · 论文数: 387
O
Olexandr Isayev
H 指数: 55 · 论文数: 275
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