Cluster expansions are commonly employed as surrogate models to link the electronic structure of an alloy to its finite-temperature properties. Using cluster expansions to model materials with several alloying elements is challenging due to a rapid increas ...
We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected variational quantum dynamics (pVQD) algorithm, that performs a global optimization with linear scaling in the number ...
Atomistic neural network potentials have achieved great success in accelerating atomistic simulations in complicated systems in recent years. They are typically based on the atomic decomposition of total properties, truncating the interatomic correlations ...
We investigate the wake structure and the three-dimensional stability of the two-dimensional von Karman vortex street developing in the wake of a permeable circular cylinder. The flow through the porous medium, assumed homogenous and isotropic, is describe ...
Turbulence in tokamaks generates radially sheared zonal flows. Their oscillatory counterparts, geodesic acoustic modes (GAMs), appear due to the action of the magnetic field curvature. The GAMs can be driven unstable by an anisotropic energetic particle (E ...
