All Stories

  1. Prediction Challenge: Simulating Rydberg photoexcited cyclobutanone with surface hopping dynamics based on different electronic structure methods

    Article • The Journal of Chemical Physics, April 2024, American Institute of Physics

    Mario Barbatti , SAIKAT MUKHERJEE

  2. Non-Kasha fluorescence of pyrene emerges from a dynamic equilibrium between excited states

    Article • The Journal of Chemical Physics, October 2022, American Institute of Physics

    Professor Itamar Borges Jr, Dr Elizete Ventura do Monte, Mario Barbatti

  3. Defining the temperature of an isolated molecule

    Article • The Journal of Chemical Physics, May 2022, American Institute of Physics

    Mario Barbatti

  4. On-the-fly dynamics simulations of transient anions

    Article • The Journal of Chemical Physics, December 2019, American Institute of Physics

    Mario Barbatti