Explaining and avoiding failure modes in goal-directed generation of small molecules

por Langevin, Maxime, Vuilleumier, Rodolphe, Bianciotto, Marc
Publicado 2022

Versatile electrification of two-dimensional nanomaterials in water

por Grosjean, Benoît, Bocquet, Marie-Laure, Vuilleumier, Rodolphe
Publicado 2019

How Crystal Symmetry Dictates Non‐Local Vibrational Circular Dichroism in the Solid State

por Jähnigen, Sascha, Le Barbu‐Debus, Katia, Guillot, Régis, Vuilleumier, Rodolphe, Zehnacker, Anne
Publicado 2022

A first-principles computational comparison of defect-free and disordered, fluorinated anatase TiO(2) (001) interfaces with water

por Reeves, Kyle G., Dambournet, Damien, Laberty-Robert, Christel, Vuilleumier, Rodolphe, Salanne, Mathieu
Publicado 2020

Thermal dependence of the hydrated proton and optimal proton transfer in the protonated water hexamer

por Mouhat, Félix, Peria, Matteo, Morresi, Tommaso, Vuilleumier, Rodolphe, Saitta, Antonino Marco, Casula, Michele
Publicado 2023

Deciphering second harmonic generation signals

por Foucaud, Yann, Siboulet, Bertrand, Duvail, Magali, Jonchere, Alban, Diat, Olivier, Vuilleumier, Rodolphe, Dufrêche, Jean-François
Publicado 2021