Yifan Li

Tongji University — China

Materials Science · Physical Sciences

8h-index754citations34works10.82yr avg
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Research Topics

Machine Learning in Materials Science(19), X-ray Diffraction in Crystallography(9), Computational Drug Discovery Methods(4), Advanced NMR Techniques and Applications(4), Topic Modeling(2)

Publications34 total

Cation Disorder of Mg2SiO4 ${\text{Mg}}_{\mathbf{2}}{\text{SiO}}_{\mathbf{4}}$ in Super‐Earth Mantles
Geophysical Research Letters·2025Open Access
DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science
Journal of Chemical Information and Modeling·2025
dpdata: A Scalable Python Toolkit for Atomistic Machine Learning Data Sets
Journal of Chemical Information and Modeling·2025· 1 cited
Task-Aligned fMRI Generation Model for Brain Disorder Diagnosis
Lecture notes in computer science·2025
Hunyuan3D Studio: End-to-End AI Pipeline for Game-Ready 3D Asset Generation
arXiv (Cornell University)·2025· 1 citedOpen Access
GPUMD 4.0: A high‐performance molecular dynamics package for versatile materials simulations with machine‐learned potentials
Materials Genome Engineering Advances·2025· 38 citedOpen Access
Enhanced Encoding Module of AisNet with Charge Features: An Application to the S<sub>N</sub>2 Data Set
Journal of Chemical Information and Modeling·2025
Beyond 1 Wh primary coin cells enabled by ultrathick solvent-free processing electrodes
Journal of Energy Chemistry·2025· 3 cited
Development of one-step multiplex real-time PCR for the detection of CHV-1, CAdV-2, and CDV
Frontiers in Veterinary Science·2025Open Access
DeePMD-kit v3: A Multiple-Backend Framework for Machine Learning Potentials
Journal of Chemical Theory and Computation·2025· 46 citedOpen Access
Prediction of phase diagram using machine learning interatomic potential and implication for equilibrium under nonhydrostatic stress
2025Open Access
Multilayered visual metabolomics analysis framework for enhanced exploration of functional components in wolfberry
Food Chemistry·2025· 1 cited
Cation disorder of Mg2SiO4 in Super-Earth Mantles
2025· 1 citedOpen Access
Efficient photothermal conversion and recycling of magnetic highly viscous oil-based nanofluids
Applied Thermal Engineering·2025· 2 cited
DPA-2: a large atomic model as a multi-task learner
npj Computational Materials·2024· 97 citedOpen Access
ProtDAT: A Unified Framework for Protein Sequence Design from Any Protein Text Description
arXiv (Cornell University)·2024· 1 citedOpen Access
Molecular-scale insights into the electrical double layer at oxide-electrolyte interfaces
Nature Communications·2024· 53 citedOpen Access
DPA-2: Towards a universal large atomic model for molecular and materials simulation
2024· 11 citedOpen Access
Lightweight equivariant model for efficient interatomic potentialpredictions
2024Open Access
DPA-2: Towards a universal large atomic model for molecular and material simulation
Zenodo (CERN European Organization for Nuclear Research)·2024Open Access
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Frequent Co-authors

Jinzhe Zeng(12), Linfeng Zhang(12), Duo Zhang(11), Jiameng Huang(11), Yuzhi Zhang(11), Junhan Chang(10), Weile Jia(10), Darrin M. York(10), E Weinan(9), Handong Wang(9), Chengqian Zhang(9), Wanrun Jiang(9), Chun Cai(8), Xinzijian Liu(8), Hangrui Bi(8), Guolin Ke(8), Xuejian Qin(7), Yifan Shan(7), Xinyan Wang(7), Jianchuan Liu(7)