Research experience: Molecular Modelling and Computational Methods in Condensed Matter

Quantum systems:

--  Path Integral formalism and simulation methods for fermions in the ground state and at finite temperature.

--  Hydrogen and hydrogen-helium mixtures at extreme conditions.

--  Strongly coupled electron-phonon systems: single and many-body systems.

Classical Systems

--  simple fluids at equilibrium and out-of-equilibrium

--  models of polymeric fluids: scaling laws and rheology

--  surfactants in acqueous solutions: self-assembling and structure

--  confined water: structure and dynamics

--  selfassembling and micro-phase separations in polymeric fluids

--  coarse-grained models of polymeric fluids

Methodological expertise

--  Molecular dynamics techniques for simple systems at equilibrium and out-of-equilibrium.

--  Molecular dynamics of all-atom models of surfactants in water.

--  Monte Carlo methods for simple systems and polymers.

--  Free energy methods.

--  Path Integral Monte Carlo method for quantum many-body systems including fermions.

--  Quantum Monte Carlo methods for ground state many-body systems.

--  Coupled Electron-Ion Monte Carlo method.

--  Methods for Quantum Dynamics and for dynamical properties (excited states).

--  Ab-initio Molecular Dynamics.