Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor

por Mazzeo, Patrizia, Hashem, Shaima, Lipparini, Filippo, Cupellini, Lorenzo, Mennucci, Benedetta
Publicado 2023

A Quasi Time-Reversible Scheme Based on Density Matrix Extrapolation on the Grassmann Manifold for Born–Oppenheimer Molecular Dynamics

por Pes, Federica, Polack, Étienne, Mazzeo, Patrizia, Dusson, Geneviève, Stamm, Benjamin, Lipparini, Filippo
Publicado 2023