Related papers: BoltzTraP. A code for calculating band-structure d…
This paper introduces vector copulas associated with multivariate distributions with given multivariate marginals, based on the theory of measure transportation, and establishes a vector version of Sklar's theorem. The latter provides a…
We give a characterization of optimal transport plans for a variant of the usual quadratic transport cost introduced in [33]. Optimal plans are composition of a deterministic transport given by the gradient of a continuously differentiable…
Significant progress on parameter-free calculations of carrier mobilities in real materials has been made during the past decade; however, the role of various approximations remains unclear and a unified methodology is lacking. Here, we…
We introduce a semiclassical quantization method which is based on a stroboscopic description of the classical and the quantum flows. We show that this approach emerges naturally when one is interested in extracting the energy spectrum…
We consider the problem of transporting \nota{one probability measure into another through} the flow of a given driftless control-affine system. Under suitable regularity conditions, the controllability of the system by means of open-loop…
Wannier interpolation is a powerful tool for performing Brillouin zone integrals over dense grids of $\mathbf{k}$ points, which are essential to evaluate such quantities as the intrinsic anomalous Hall conductivity or Boltzmann transport…
We study the theoretical and practical aspects of computing braids described by approximate descriptions of paths in the plane. Exact algorithms rely on the lexicographic ordering of the points in the plane, which is unstable under…
An efficient new method is presented to calculate the quantum transports using periodic boundary conditions. This method allows the use of conventional ground state ab initio programs without big changes. The computational effort is only a…
We show that the algebra of the bicovariant differential calculus on a quantum group can be understood as a projection of the cross product between a braided Hopf algebra and the quantum double of the quantum group. The resulting super-Hopf…
We use the Wigner transformation and asymptotic analysis to systematically derive the semi-classical model for the Schr\"{o}dinger equation in arbitrary spatial dimensions, with any periodic structure. Our particular emphasis lies in…
We exploit the link between the transport equation and derivatives of expectations to construct efficient pathwise gradient estimators for multivariate distributions. We focus on two main threads. First, we use null solutions of the…
Many causal and structural parameters in economics can be identified and estimated by computing the value of an optimization program over all distributions consistent with the model and the data. Existing tools apply when the data is…
The semiclassical trace formula provides the basic construction from which one derives the semiclassical approximation for the spectrum of quantum systems which are chaotic in the classical limit. When the dimensionality of the system…
This report reviews recent progress in computing Kubo formulas for general interacting Hamiltonians. The aim is to calculate electric and thermal magneto-conductivities in strong scattering regimes where Boltzmann equation and Hall…
Scaling of semiconductor devices has reached a stage where it has become absolutely imperative to consider the quantum mechanical aspects of transport in these ultra small devices. In these simulations, often one excludes a rigorous band…
Semiclassical trace formulas are examined using phase space path integrals. Our main concern in this paper is the Maslov index of the periodic orbit, which seems not fully understood in previous works. We show that the calculation of the…
Spin-orbit interaction (SOI) is a crucial ingredient for many potential applications of quantum devices, such as the use of semiconductor nanostructures for quantum computing. It is known that nonlinear conductivities are sensitive to the…
The spectrum of the evolution Operator associated with a nonlinear stochastic flow with additive noise is evaluated by diagonalization in a polynomial basis. The method works for arbitrary noise strength. In the weak noise limit we…
A recently developed model that unifies the ballistic and diffusive transport mechanisms is applied in a theoretical study of carrier transport across potential barriers at grain boundaries in microcrystalline semiconducting materials. In…
Directly computing mass transport coefficients in stochastic models requires integrating over time the equilibrium correlations between atomic displacements. Here, we show how to accelerate the computations via \green{correlation splitting…