Thermalized Drude Oscillators with the LAMMPS Molecular Dynamics Simulator. - Alain Dequidt; Julien Devémy; Agílio A. H. Pádua (J. Chem. Inf. Model., 2016)

ForConX: A forcefield conversion tool based on XML. - Volker Lesch; Diddo Diddens; Carlos E. S. Bernardes; Benjamin Golub; Alain Dequidt; Veronika Zeindlhofer; Marcello Sega; Christian Schröder (J. Comput. Chem., 2017)

Probing Enzymatic PET Degradation: Molecular Dynamics Analysis of Cutinase Adsorption and Stability. - Mehdi Sahihi; Pierre Fayon; Lionel Nauton; Florent Goujon; Julien Devémy; Alain Dequidt; Patrice Hauret; Patrice Malfreyt (J. Chem. Inf. Model., 2024)

ML-GLE: A machine learning enhanced Generalized Langevin equation framework for transient anomalous diffusion in polymer dynamics. - Gian-Michele Cherchi; Alain Dequidt; Arnaud Guillin; Nicolas Martzel; Patrice Hauret; Vincent Barra (J. Comput. Phys., 2024)