Properties and characterization of materials

Development of characterization methods and tools to address structural, electronic and optical properties of materials from the atomic-scale models. Characterization procedures to assess the reliability of the numerical models. Application of MDFT code to supercapacitor materials screening. Coupling of codes to increase accurateness of the computed properties. Modeling of materials at different lenght scales. Description of applications via continuous models. Model settings to design large scale simulations to address accurately macroscopic properties.
H2020