4 papers
How to quantify long-time rotational motion in molecular systems
Romain Simon, Hadrien Bobas, François Villemot +2
We show that all existing methods quantifying rotational motion in molecular fluids eventually have severe limitations in systems undergoing complex rotational motion characterized…
Molecular motion at the experimental glass transition
Romain Simon, Jean-Louis Barrat, Ludovic Berthier
We propose a novel computational strategy to study the glass transition of molecular fluids. Our approach combines the construction of simple yet realistic models with the developm…
Boltzmann generators for amorphous particle systems
Louis Grenioux, Leonardo Galliano, Ludovic Berthier +2
Sampling configurations in thermodynamic equilibrium is a long-standing challenge in statistical physics. Boltzmann generators address this problem by employing generative models t…
Numerical investigation of the equilibrium Kauzmann transition in a two-dimensional atomistic glass
Gerhard Jung, Misaki Ozawa, Giulio Biroli +1
Dense liquids gradually transform into non-equilibrium amorphous solids as they pass through the experimental glass transition. Experimentally, ergodicity is lost because measureme…