This software package performs quantum nonadiabatic molecular dynamics simulations in the full multiple spawning and full multiple cloning approximations. It is written in Python, highly extensible, and designed to take advantage of large-scale shared computer resources.
PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics, D. A. Fedorov, S. Seritan, B. S. Fales, T. J. Martínez, and B. G. Levine, J. Chem. Theory Comput., accepted (2020) https://doi.org/10.1021/acs.jctc.0c00575Nonadiabatic
Quantum Molecular Dynamics in Dense Manifolds of Electronic States, D. A. Fedorov and B. G. Levine, J. Phys. Chem. Lett., 10, 4542 (2019) https://doi.org/10.1021/acs.jpclett.9b01902