Related papers: Constructing optimal Wannier functions via potenti…
We show that the long-standing problem of gauge dependence of the effective potential arises due to the factorisation of the determinant of operators, which is invalid when we take the zeta-regularised trace of the operators. We show by…
In this work, we investigate conditions which ensure the existence of an exponentially localized Wannier basis for a given periodic hamiltonian. We extend previous results in [Pan07] to include periodic zero flux magnetic fields which is…
The derivatives of the Berry curvature $\Omega$ and intrinsic orbital magnetic moment m in momentum space are relevant to various problems, including the nonlinear anomalous Hall effect and magneto-transport within the Boltzmann-equation…
We explore the geometry of the Bures-Wasserstein space for potentially degenerate Gaussian measures on a separable Hilbert space. In this general setting, the optimal transport map is formally the subgradient of a convex function that is…
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…
We consider a reduction procedure in Wiener-type path integral for a finite-dimensional mechanical system with a symmetry representing the motion of two interacting scalar particles on a manifold that is the product of the total space of…
This paper considers the minimization of a general objective function $f(X)$ over the set of rectangular $n\times m$ matrices that have rank at most $r$. To reduce the computational burden, we factorize the variable $X$ into a product of…
Wannier90 is an open-source computer program for calculating maximally-localised Wannier functions (MLWFs) from a set of Bloch states. It is interfaced to many widely used electronic-structure codes thanks to its independence from the basis…
Construction of maximally localized Wannier functions (MLWFs) has been implemented within the linear combination of pseudo-atomic orbital (LCPAO) method. Detailed analysis using MLWFs is applied to three closely related materials, single…
The Wegner orbital model is a class of random operators introduced by Wegner to model the motion of a quantum particle with many internal degrees of freedom (orbitals) in a disordered medium. We consider the case when the matrix potential…
Isotonic regression (IR) is shape-constrained regression to maintain a univariate fitting curve non-decreasing, which has numerous applications including single-index models and probability calibration. When it comes to multi-output…
The statistical basis for conventional full-waveform inversion (FWI) approaches is commonly associated with Gaussian statistics. However, errors are rarely Gaussian in non-linear problems like FWI. In this work, we investigate the…
We present an efficient {\it ab initio} approach for the study of magnetic transport properties based on the Boltzmann equation with the Wannier interpolation scheme. Within the relaxation time approximation, band-resolved electric…
We derived explicit expressions of symmetry operators on Wannier basis, and implemented these operators in WannSymm software. Based on this implementation, WannSymm can i) symmetrize the real-space Hamiltonian output from Wannier90 code,…
Optical computing has emerged as a promising candidate for real-time and parallel continuous data processing. Motivated by recent progresses in metamaterial-based analog computing [Science 343, 160 (2014)], we theoretically investigate…
In the papers dealing with derivation and applications of operational matrices of Bernstein polynomials, a basis transformation, commonly a transformation to power basis, is used. The main disadvantage of this method is that the…
We consider the formally determined inverse problem of recovering an unknown time-dependent potential function from the knowledge of the restriction of the solution of the wave equation to a small subset, subject to a single external…
We present a self-consistent, real-space calculation of the Wannier functions of Si and GaAs within density functional theory. We minimize the total energy functional with respect to orbitals which behave as Wannier functions under crystal…
By investigating model-independent bounds for exotic options in financial mathematics, a martingale version of the Monge-Kantorovich mass transport problem was introduced in \cite{BeiglbockHenry…
We consider the global minimization of smooth functions based solely on function evaluations. Algorithms that achieve the optimal number of function evaluations for a given precision level typically rely on explicitly constructing an…