Publications en collaboration avec des chercheurs de Los Alamos National Laboratory (3)

2023

  1. NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations

    Journal of Chemical Theory and Computation, Vol. 19, Núm. 16, pp. 5356-5368

  2. Vibrational Funnels for Energy Transfer in Organic Chromophores

    Journal of Physical Chemistry Letters, Vol. 14, Núm. 20, pp. 4673-4681

2020

  1. Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm

    Journal of Chemical Theory and Computation, Vol. 16, Núm. 12, pp. 7289-7298