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ENTITY time-dependent density functional theory

time-dependent density functional theory

PulseAugur coverage of time-dependent density functional theory — every cluster mentioning time-dependent density functional theory across labs, papers, and developer communities, ranked by signal.

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  1. TOOL · CL_22107 ·

    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…