| KEYWORD |
AA - Multiscale modelling for materials science and process engineering
Molecular dynamics for solid-liquid systems
keywords MOLECULAR DYNAMICS
Reference persons ANTONIO BUFFO
Research Groups AA - Multiscale modelling for materials science and process engineering
Description The thesis involves carrying out molecular dynamics simulations for solid-liquid systems, using thermodynamic integration for calculating interfacial properties, such as the interfacial free energy. These calculation methodologies are useful for predicting the behavior of materials, such as the electrolyte-graphene interface, which are beneficial in the field of supercapacitors and energy storage in general.
Deadline 22/03/2025
PROPONI LA TUA CANDIDATURA