Specific force field parameters determination for the hybrid ab initio QM/MM LSCF method. - Nicolas Ferré; Xavier Assfeld; Jean-Louis Rivail (J. Comput. Chem., 2002)

MOLCAS 7: The Next Generation. - Francesco Aquilante; Luca De Vico; Nicolas Ferré; Giovanni Ghigo; Per-Åke Malmqvist; Pavel Neogrády; Thomas Bondo Pedersen; Michal Pitonák; Markus Reiher; Björn Roos; Luis Serrano-Andrés; Miroslav Urban; et al. (J. Comput. Chem., 2010)

Molcas 8: New capabilities for multiconfigurational quantum chemical calculations across the periodic table. - Francesco Aquilante; Jochen Autschbach; Rebecca K. Carlson; Liviu F. Chibotaru; Mickaël G. Delcey; Luca De Vico; Ignacio Fdez. Galván; Nicolas Ferré; Luis Manuel Frutos; Laura Gagliardi; Marco Garavelli; Angelo Giussani; et al. (J. Comput. Chem., 2016)

Assessment of Free Energies From Electrostatic Embedding Density Functional Tight Binding-Based/Molecular Mechanics in Periodic Boundary Conditions. - Simone Bonfrate; Woojin Park; Dulce Trejo-zamora; Nicolas Ferré; Cheol Ho Choi; Miquel Huix-rotllant (J. Comput. Chem., 2025)