Domaines
Condensed matter
Statistical physics
Nonequilibrium statistical physics
Kinetic theory ; Diffusion ; Long-range interacting systems
Type of internship
Théorique, numérique Description
The detailed understanding of the high-pressure behavior of ammonia hydrates is a major challenge for planetary
physics, as they are found in the composition of giant planets the solar system such as Neptune and Uranus. These
mixtures present a variety of solid phases, some of which exhibit exotic properties such as plasticity or superionicity,
as well as diverse forms of disorder (orientational, substitutional, translational and ionic disorder in particular).
Though the phase diagram of ammonia hydrates is relatively well-known experimetally, theoretical studies remain
scarce as the pose a huge simulation challenge that we propose to address by combining machine-learning (ML)
interatomic potentials with accelerated sampling methods for free-energy calculations, as well as path-integral
molecular dynamics (PIMD) to tackle nuclear quantum effects.
Contact
Simon Huppert