Tinker-HP : Accelerating Molecular Dynamics Simulations of Large Complex Systems with Advanced Point Dipole Polarizable Force Fields using GPUs and Multi-GPUs systems. - Olivier Adjoua; Louis Lagardère; Luc-Henri Jolly; Arnaud Durocher; Thibaut Very; Isabelle Dupays; Zhi Wang 021; Théo Jaffrelot Inizan; Frédéric Célerse; Pengyu Y. Ren; Jay W. Ponder; Jean-Philip Piquemal (CoRR, 2020)

From Organic Fragments to Photoswitchable Catalysts: The OFF-ON Structural Repository for Transferable Kernel-Based Potentials. - Frédéric Célerse; Matthew D. Wodrich; Sergi Vela; Simone Gallarati; Raimon Fabregat; Veronika Jurásková; Clémence Corminboeuf (J. Chem. Inf. Model., 2024)

AMOEBA Polarizable Molecular Dynamics Simulations of Guanine Quadruplexes: From the c-Kit Proto-Oncogene to HIV-1. - Dina El Ahdab; Louis Lagardère; Zeina Hobaika; Théo Jaffrelot Inizan; Frédéric Célerse; Nohad Gresh; Richard G. Maroun; Jean-Philip Piquemal (J. Chem. Inf. Model., 2025)