实体 Xuan Zhang

Xuan Zhang

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TOOL · CL_22107 · May 8 · 04:00

Orbital Transformers learn molecular wavefunctions for faster TDDFT simulations

Researchers have developed OrbEvo, an equivariant graph transformer model designed to predict molecular wavefunctions in time-dependent density functional theory (TDDFT). This new approach aims to accelerate the simulat…