Dr Marcello Sega, Associate Professor

Research summary

My research focuses on exploring the properties of liquids, ranging from simple substances to complex biological systems, with a particular emphasis on understanding interfaces. I utilize advanced simulation methods that operate on both atomistic and mesoscopic scales.

These include atomistic molecular dynamics, lattice-Boltzmann methods for fluid dynamics simulations, computational geometry for analysing the nuanced characteristics of interfaces, and machine learning techniques to develop models that achieve the predictive accuracy of ab-initio calculations.

Keywords

Chemical physics ; physical chemistry ; molecular thermodynamics ; computational fluid dynamics; molecular dynamics ; lattice Boltzmann ; liquid interfaces ; machine learned potentials