Aude Marjolin

Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: from gas-phase energetics to hydration free energies

Nohad Gresh, Jean-Philip Piquemal, Pengyu Ren, 2012, Theoretical Chemistry Accounts.

Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics

Jean-Philip Piquemal, Carine Clavaguéra, Christophe Gourlaouen, 2014, Journal of Molecular Modeling.