Computer simulations of the glass transition and glassy materials

Abstract

We provide an overview of the different types of computational techniques developed over the years to study supercooled liquids, glassy materials and the physics of the glass transition. We organise these numerical strategies into four broad families. For each of them, we describe the general ideas without discussing any technical details. We summarise the type of questions which can be addressed by any given approach and outline the main results which have been obtained. Finally we describe two important directions for future computational studies of glassy systems.

arXiv comment16 pages, 1 figure. Submitted to the French Academy of Sciences to celebrate International Year of Glass 2022

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• Creating bulk ultrastable glasses by random particle bonding
• Irreversible Monte Carlo algorithms for hard disk glasses: from event-chain to collective swaps
• The glass transition in molecules, colloids and grains: universality and specificity
• Monte Carlo simulations of glass-forming liquids beyond Metropolis
• Normalizing flows as an enhanced sampling method for atomistic supercooled liquids
• Transverse forces and glassy liquids in infinite dimensions
• Characterising the slow dynamics of the swap Monte Carlo algorithm
• Molecular motion at the experimental glass transition
• Kinetic glass transition in granular gases and non-linear molecular fluids