Xiaofeng Qian

hamiltonian matrix (2) machine learning (1) language model (1) quantum chemistry (1) molecular dynamics (1) crystal structure generation (1) molecular property prediction (1) density functional theory (1) deep q-network (1) interpretable prediction (1) materials discovery (1) physics-constrained learning (1) equivariant network (1) graph neural network (1) periodic invariance (1) automatic feature engineering (1) feature generation tree (1) quantum hamiltonian (1) electronic structure (1) sequence tokenization (1)