Xinran Wei

5 papers · 2024–2025 · 3 conferences · across top CS/AI conferences

Achievements

🌉 Interdisciplinary Bridge 🧭 Keyword Pioneer 🌍 Conference Polyglot (3) 🐝 Cross-Pollinator (4) 👑 Triple Crown

Conferences

ICLR (2) ICML (2) NIPS (1)

Top co-authors

Bin Shao (5) Zun Wang (5) Chang Liu (4) Lin Huang (4) Yunyang Li (3) Han Yang (3) Jia Zhang (3) Erpai Luo (2) He Zhang (2) zaishuo xia (2)

Keywords

deep equilibrium model (1) quantum chemistry (1) density functional theory (1) hamiltonian prediction (1) fixed-point solving (1) scientific machine learning (1) neural network (1)

Papers

Enhancing the Scalability and Applicability of Kohn-Sham Hamiltonians for Molecular Systems ICLR 2025

Efficient and Scalable Density Functional Theory Hamiltonian Prediction through Adaptive Sparsity ICML 2025

Infusing Self-Consistency into Density Functional Theory Hamiltonian Prediction via Deep Equilibrium Models NIPS 2024

Long-Short-Range Message-Passing: A Physics-Informed Framework to Capture Non-Local Interaction for Scalable Molecular Dynamics Simulation ICLR 2024

Self-Consistency Training for Density-Functional-Theory Hamiltonian Prediction ICML 2024