A5070526650- Advanced Battery Materials and Technologies
- Electrochemical Analysis and Applications
- Ionic liquids properties and applications
- Advancements in Battery Materials
- Solid-state spectroscopy and crystallography
- Risk and Portfolio Optimization
- Spectroscopy and Quantum Chemical Studies
- Chemical and Physical Properties in Aqueous Solutions
- Synthesis and Properties of Aromatic Compounds
- Stochastic processes and financial applications
- Financial Risk and Volatility Modeling
- Advanced NMR Techniques and Applications
Institut polytechnique de Grenoble
2021-2023
Université Savoie Mont Blanc
2021-2023
Université Grenoble Alpes
2021-2023
Centre National de la Recherche Scientifique
2021-2023
Laboratoire Jean Kuntzmann
2023
Réseau sur le Stockage Electrochimique de l'énergie
2022
Solutions made of tetraglyme (G4) containing Ca(TFSI)2 have been studied as models to understand the solvation structure and conductivity properties multivalent ions in low dielectric constant ethereal electrolytes. These solutions characterised using electrochemical impedance spectroscopy, rheological measurement, Raman spectroscopy. The ionic these electrolytes shows an intriguing non-monotonic behaviour with temperature which deviates from semi-empirical Vogel-Tammann-Fulcher equation at...
Classical molecular dynamics (MD) simulations of electrolyte systems are important to gain insight into the atom-scale properties that determine battery-relevant performance. The recent Tinker-HP software release enables efficient and accurate MD with AMOEBA polarizable force field. In this work, we developed a procedure construct universal model for solvent family glymes (glycol methyl ethers), which involves refinement scheme valence parameters by fitting AMOEBA-derived atomic forces those...
This study compares molecular calculations performed with and periodic codes through an investigation of the solvation structures alkali alkaline earth metal ions in tetraglyme solution. The two are able to produce equivalent structural energetic information at same level theory, presence implicit model or not. comparison reveals that optimisations can be used directly as input models for interface electrochemistry order preserve solvent-solute interaction cavitation energy. By a rigorous...
This paper studies the multi-period mean-variance portfolio allocation problem with transaction costs. Many methods have been proposed these last years to challenge famous uni-period Markowitz strategy. However, cannot integrate costs or become computationally heavy and hardly applicable. In this paper, we try tackle by proposing an innovative approach that relies on representing set of admissible portfolios a finite-dimensional Wiener chaos expansion. method can find optimal strategy for...