In this exercise, you will perform ab initio molecular dynamics using Second Generation Car-Parrinello (SGCP) molecular dynamics.

Please cite [[ https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.98.066401 | Phys. Rev. Lett. 98, 066401  ]], if you use this method.

Published work using SGCP method:

[[https://pubs.acs.org/doi/10.1021/acs.jpcc.8b05933 | J. Phys. Chem. C 2018, 122, 42, 24068–24076]]

[[ https://doi.org/10.1021/acs.jpclett.0c01025 |J. Phys. Chem. Lett. 2020, 11, 9, 3724–3730]]

===Introduction===