Wei, Xinran

1. Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation
   2023/04/26 by Li, Yunyang, Wang, Yusong, Huang, Lin +7 · 4 citations
   #Chemical Physics (physics.chem-ph) #FOS: Physical sciences
2. Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems
   2025/02/26 by Yunyang Li, Zeyu Xia, Li, Yunyang +19 · 6 citations
   Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #Quantum many-body systems
3. Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity
   2025/02/03 by Xinran Wei, Luo, Erpai, Wei, Xinran +16 · 5 citations
   Physics and Astronomy · Materials Science · #Model Reduction and Neural Networks #Quantum, superfluid, helium dynamics #Machine Learning in Materials Science
4. Accurate and scalable exchange-correlation with deep learning
   2025/06/17 by Luise, Giulia, Huang, Chin-Wei, Vogels, Thijs +22 · 7 citations
   #Artificial Intelligence (cs.AI) #Chemical Physics (physics.chem-ph) #Computational Engineering #Computational Physics (physics.comp-ph) #FOS: Computer and information sciences #FOS: Physical sciences #Finance #Machine Learning (cs.LG) #and Science (cs.CE)
5. Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models
   2024/06/06 by Wang, Zun, Liu, Chang, Zou, Nianlong +5 · 2 citations
   #FOS: Computer and information sciences #Machine Learning (cs.LG)
6. Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction
   2024/03/14 by He Zhang, Zhang, He, Chang Liu +13 · 2 citations
   Computer Science · #Biomolecules (q-bio.BM) #Chemical Physics (physics.chem-ph) #Distributed and Parallel Computing Systems #FOS: Biological sciences #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Parallel Computing and Optimization Techniques #Topic Modeling
7. E2Former: An Efficient and Equivariant Transformer with Linear-Scaling Tensor Products
   2025/01/31 by Li, Yunyang, Huang, Lin, Ding, Zhihao +10 · 2 citations
   #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
8. AI Agent as Urban Planner: Steering Stakeholder Dynamics in Urban Planning via Consensus-based Multi-Agent Reinforcement Learning
   2023/10/25 by Qian, Kejiang, Mao, Lingjun, Liang, Xin +5 · 1 citation
   #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Multiagent Systems (cs.MA)
9. Acceleration without Disruption: DFT Software as a Service
   2024/06/17 by Fusong Ju, Xinran Wei, Ju, Fusong +29 · 1 citation
   Computer Science · #Distributed and Parallel Computing Systems