Codes

  1. promdens, by Jiří Janoš, Daniel Hollas, Petr Slavíček, and Basile F. E. Curchod, 2024.
    Code to use the promoted density approach, a strategy to include the effect of a laser field in trajectory-based nonadiabatic molecular dynamics simulations at the level of the initial conditions.
    Available on PyPI: pip install promdens
    or GitHub: https://doi.org/10.5281/zenodo.13853643.
  2. AtmoSpec, by Daniel Hollas, and Basile F. E. Curchod, 2024.
    AtmoSpec –Automated calculation of photoabsorption cross-section for atmospheric volatile organic compounds. 
    GitHub: https://doi.org/10.5281/zenodo.11075300
  3. Exact Factorization Analysis Code (EFAC), by Hugo Bessone, Lea-Maria Ibele, Emanuele Marsili, Francesco Talotta, David Lauvergnat, Basile F. E. Curchod, and Federica Agostini, 2020.
    Module submitted to the E-CAM Software Repository in Quantum Dynamics and discussed in D3.5.: Quantum dynamics E-CAM modules IV, https://doi.org/10.5281/zenodo.3598325.