Dr. Gabriela B. Correa
I am interested in molecular simulations of complex fluids and materials, with emphasis on free-energy methods, transport properties, and machine learning approaches. During my Ph.D. in Chemical Engineering in Brazil, I advanced molecular dynamics methodologies to study solvation free energies, phase transitions, and transport properties in ionic liquids, deep eutectic solvents, and CO₂–hydrocarbon mixtures.
In my postdoctoral research at NYU, I will focus on charge and proton transport in redox-active organic electrolytes, combining ab initio and path-integral molecular dynamics with machine learning force fields.