1. Vallverdu, G.; Minvielle, M.; Andreu, N.; Gonbeau, D.; Baraille, I. First Principle Study of the Surface Reactivity of Layered Lithium Oxides LiMO2 (M = Ni, Mn, Co). Surface Science 2016, 649, 46–55.
  2. Guille, É.; Vallverdu, G.; Tison, Y.; Bégué, D.; Baraille, I. Possible Existence of a Monovalent Coordination for Nitrogen Atoms in LixPOyNz Solid Electrolyte: Modeling of X-Ray Photoelectron Spectroscopy and Raman Spectra. J. Phys. Chem. C 2015, 119 (41), 23379–23387.
  3. Guille, É.; Vallverdu, G.; Baraille, I. First-Principle Calculation of Core Level Binding Energies of LixPOyNz Solid Electrolyte. The Journal of Chemical Physics 2014, 141 (24), 244703.
  4. Martin, L.; Vallverdu, G.; Martinez, H.; Cras, F. L.; Baraille, I. First Principles Calculations of Solid–solid Interfaces: An Application to Conversion Materials for Lithium-Ion Batteries. J. Mater. Chem. 2012, 22 (41), 22063–22071.
  5. Maillet, J. B.; Bourasseau, E.; Desbiens, N.; Vallverdu, G.; Stoltz, G. Mesoscopic Simulations of Shock-to-Detonation Transition in Reactive Liquid High Explosive. EPL (Europhysics Letters) 2011, 96 (6), 68007.
  6. Jonasson, G.; Teuler, J.-M.; Vallverdu, G.; Mérola, F.; Ridard, J.; Lévy, B.; Demachy, I. Excited State Dynamics of the Green Fluorescent Protein on the Nanosecond Time Scale. J. Chem. Theory Comput. 2011, 7 (6), 1990–1997.
  7. Vallverdu, G.; Demachy, I.; Mérola, F.; Pasquier, H.; Ridard, J.; Lévy, B. Relation between pH, Structure, and Absorption Spectrum of Cerulean: A Study by Molecular Dynamics and TD DFT Calculations. Proteins: Structure, Function, and Bioinformatics 2010, 78 (4), 1040–1054.
  8. Vallverdu, G.; Demachy, I.; Ridard, J.; Lévy, B. Using Biased Molecular Dynamics and Brownian Dynamics in the Study of Fluorescent Proteins. Journal of Molecular Structure: THEOCHEM 2009, 898 (1–3), 73–81.
  9. Villoing, A.; Ridhoir, M.; Cinquin, B.; Erard, M.; Alvarez, L.; Vallverdu, G.; Pernot, P.; Grailhe, R.; Mérola, F.; Pasquier, H. Complex Fluorescence of the Cyan Fluorescent Protein: Comparisons with the H148D Variant and Consequences for Quantitative Cell Imaging†. Biochemistry 2008, 47 (47), 12483–12492.
  10. Demachy, I.; Ridard, J.; Laguitton-Pasquier, H.; Durnerin, E.; Vallverdu, G.; Archirel, P.; Lévy, B. Cyan Fluorescent Protein: Molecular Dynamics, Simulations, and Electronic Absorption Spectrum. J. Phys. Chem. B 2005, 109 (50), 24121–24133.