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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