Classical Density Functional Theory

Elvis Soares
(EQ-UFRJ)

Resumo:

Classical Density Functional Theory (DFT) has emerged as an indispensable theoretical tool, providing a robust framework to elucidate the microscopic structure of classical many-body systems. In this presentation, I will discuss my recent research in cDFT applied to confined fluids and electrolyte solutions. The initial part of the presentation will spotlight cDFT as a potent computational methodology capable of determining the properties of a many-body system under the influence of external potentials and crowded conditions. This approach has profound implications for our understanding of the behavior of confined fluids and electrolyte solutions. We will explore how the microscopic structure calculated from cDFT can be used to predict macroscopic properties, even within complex 3D geometries. Subsequently, we will explore the application of cDFT in characterizing the dynamical behavior of many-body particle systems under the influence of external potentials. Thereby, it will provide insights into a broad spectrum of physical phenomena. We will conclude with a brief discussion on the challenges we face in cDFT and the future directions we intend to pursue.

Departamento de Física dos Sólidos
Instituto de Física UFRJ