Quantum Rényi entropy by optimal thermodynamic integration paths by Miha Srdinšek, Michele Casula, Rodolphe Vuilleumier

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Explaining and avoiding failure modes in goal-directed generation of small molecules by Maxime Langevin, Rodolphe Vuilleumier, Marc Bianciotto

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Versatile electrification of two-dimensional nanomaterials in water by Benoît Grosjean, Marie-Laure Bocquet, Rodolphe Vuilleumier

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On the Mass of Atoms in Molecules: Beyond the Born-Oppenheimer Approximation by Arne Scherrer, Federica Agostini, Daniel Sebastiani, E. K. U. Gross, Rodolphe Vuilleumier

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Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer by Félix Mouhat, Matteo Peria, Tommaso Morresi, Rodolphe Vuilleumier, Antonino Marco Saitta, Michele Casula

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