Taoyong Cui - Publications, H-index & Citations

Taoyong Cui

Shanghai Artificial Intelligence Laboratory

3H指数

24论文数

41被引数

收录论文 7

发表时间

Evidential deep learning for interatomic potentials 证据深度学习用于原子间势能

Nature Communications

IF15.7

2025-12-20

OAAI

Han Xu; Taoyong Cui; Chenyu Tang; Jinzhe Ma; Dongzhan Zhou; Yuqiang Li; Xiang Gao; Xingao Gong; Wanli Ouyang; Shufei Zhang; Mao Su

A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic Potentials 大规模分子Hessian数据库，用于优化反应性机器学习原子间势能

Scientific Data

IF6.9

2025-12-04

OAAI

Taoyong Cui; Yonghong Han; Haojun Jia; Chenru Duan; Qiyuan Zhao

Recent advances in artificial intelligence–driven biomolecular dynamics simulations based on machine learning force fields 基于机器学习力场的AI驱动生物分子动力学模拟的最新进展

Current Opinion in Structural Biology

IF7

2025-11-21

PREAI

Taoyong Cui; Yutao Zhou; Tong Wang

Harnessing Machine Learning to Enhance Transition State Search with Interatomic Potentials and Generative Models 利用机器学习结合原子间势能和生成模型来增强过渡态搜索

Advanced Science

IF14.1

2025-07-13

OAAI

Qiyuan Zhao; Yunhong Han; Duo Zhang; Jiaxu Wang; Peichen Zhong; Taoyong Cui; Bangchen Yin; Yirui Cao; Haojun Jia; Chenru Duan

MSGNN: Masked Schema based Graph Neural Networks MSGNN: 基于掩码模式图的图神经网络

PROCEEDINGS OF THE VLDB ENDOWMENT

IF3.3

2025-04-07

PREAI

Liu, Hao; Yang, Qianwen; Cui, Taoyong; Wang, Wei

Online test-time adaptation for better generalization of interatomic potentials to out-of-distribution data 在线测试时间自适应以改善原子间势能对外分布数据的泛化能力

NATURE COMMUNICATIONS

IF15.7

2025-02-22

OAAI

Cui, Taoyong; Zhou, Dongzhan; Gong, Xingao; Ouyang, Wanli; Su, Mao; Zhang, Shufei

Geometry-enhanced pretraining on interatomic potentials 原子间势的几何增强预训练

NATURE MACHINE INTELLIGENCE

IF23.9

2024-04-05

OAAI

Cui, Taoyong; Tang, Chenyu; Su, Mao; Zhang, Shufei; Li, Yuqiang; Bai, Lei; Dong, Yuhan; Gong, Xingao; Ouyang, Wanli

研究方向