A. Baldanza

Efficient simulation of second-order phase transitions in quantum anharmonic materials

When a crystal undergoes a second-order structural phase transition, such as in ferroelectrics, Peierls, and charge-density waves, the diverging fluctuations of the order parameter lead to the break- down of the standard phonon quasiparticle picture. Simulating these highly anharmonic regimes is notoriously challenging...