Xiaofeng Qian

Associate Professor@Texas A&M University·美国·OpenReview

研究方向

First-Principles Electronic Structure Theory · Density Functional Theory · Topological Materials · Functional Materials · Materials Informatics and Discovery · Nonlinear Light-Matter Interaction

Xiaofeng Qian

Orbital Transformers for Predicting Wavefunctions in Time-Dependent Density Functional Theory

Efficient Prediction of SO(3)-Equivariant Hamiltonian Matrices via SO(2) Local Frames

Toward Greater Autonomy in Materials Discovery Agents: Unifying Planning, Physics, and Scientists

Learning Materials Interatomic Potentials via Hybrid Invariant-Equivariant Architectures

Tensor Decomposition Networks for Accelerating Machine Learning Force Field Computations

Learning Time-Dependent Density Functional Theory via Geometry and Physics Aware Latent Evolution

Graph-based Symbolic Regression with Invariance and Constraint Encoding

Physics-constrained Graph Symbolic Regression