References

1

Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh, Simone Meloni, Emiliano Ippoliti, Martin P Bircher, Paolo Carloni, and Ursula Rothlisberger. MiMiC: A Novel Framework for Multiscale Modeling in Computational Chemistry. J. Chem. Theory Comput., 15:3810–3823, 2019. doi:10.1021/acs.jctc.9b00093.

2

Viacheslav Bolnykh, Jógvan Magnus Haugaard Olsen, Simone Meloni, Martin P Bircher, Emiliano Ippoliti, Paolo Carloni, and Ursula Rothlisberger. Extreme Scalability of DFT-Based QM/MM MD Simulations Using MiMiC. J. Chem. Theory Comput., 15:5601–5613, 2019. doi:10.1021/acs.jctc.9b00424.