Molecular dynamics and stochastic processes for active fluids

This work investigates active fluids both with a stochastic thermodynamics approach and molecular dynamics point of view. The term 'active particles' describe self-propelling particles which consume energy in order to move. They range in size from micron molecules such as bacteria to living organisms, such as large mammals. The interest in the study of active particles has increased, mainly due to progress achieved in biomedical and technological applications, such as drug delivery. In this thesis, the dynamics and thermodynamics of active elliptical particles have been investigated by incorporating inertia and geometry effect in active Langevin dynamics. Finally, the methodology has been extended to nonequilibrium molecular dynamics simulations.