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ENTITY parity-equivariant latent Hamiltonian

parity-equivariant latent Hamiltonian

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  1. RESEARCH · CL_287058 ·

    New PEACE method advances nonadiabatic molecular dynamics simulations

    Researchers have developed a new method called PEACE (Parity-Equivariant Autonomous Chemical Engine) for simulating nonadiabatic molecular dynamics. This approach integrates a parity-equivariant latent Hamiltonian with …