Related papers: Spread balanced Wannier functions: Robust and auto…

[This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible.] In a wireless acoustic sensor network (WASN), devices (i.e., nodes) can…

Wireless Sensor Networks (WSNs) are composed of nodes that gather metrics like temperature, pollution or pressure from events generated by external entities. Localization in WSNs is paramount, given that the collected metrics must be…

Optimal tuning of functional parameters in density functional theory approximations, based on enforcing the ionization potential theorem, has emerged as the method of choice for the non-empirical prediction of the electronic structure of…

Over the past two decades, fair resource allocation problems have received considerable attention in a variety of application areas. However, little progress has been made in the design of distributed algorithms with convergence guarantees…

Many spatial processes exhibit nonstationary features. We estimate a variance function from a single process observation where the errors are nonstationary and correlated. We propose a difference-based approach for a one-dimensional…

Ubiquitous Van der Waals interactions between atoms and molecules are important for many molecular and solid structures. These systems are often studied from first principles using the Density Functional Theory (DFT). However, the commonly…

We propose an improved scheme to construct many-body trial wave functions for fractional Chern insulators (FCI), using one-dimensional localized Wannier basis. The procedure borrows from the original scheme on a continuum cylinder, but is…

Wireless Sensor Network (WSN) is pertinent to many applications with varied network parameters. Sensor node placement in the application region whether it is indoor or outdoor is a major task as well as plays very remarkable role in the…

The ionization potential of molecular chains is well-known to be a tunable nano-scale property that exhibits clear quantum confinement effects. State-of-the-art methods can accurately predict the ionization potential in the small molecule…

This work assesses the performance of the recently proposed global natural orbital functional (GNOF) against the charge delocalization error. GNOF provides a good balance between static and dynamic electronic correlation leading to accurate…

This paper presents a distributed gradient-based deployment strategy to maximize coverage in hybrid wireless sensor networks (WSNs) with probabilistic sensing. Leveraging Voronoi partitioning, the overall coverage is reformulated as a sum…

In this paper, we propose and study construction of confidence bands for shape-constrained regression functions when the predictor is multivariate. In particular, we consider the continuous multidimensional white noise model given by $d…

We consider the applicability of phase space Wannier functions" to electronic structure calculations. These generalized Wannier functions are analogous to localized plane waves and constitute a complete, orthonormal set which is…

We describe a method to calculate the electronic properties of an insulator under an applied electric field. It is based on the minimization of an electric enthalpy functional with respect to the orbitals, which behave as Wannier functions…

The van der Waals density functional (vdW-DF) of Dion et al. [Phys. Rev. Lett. 92, 246401 (2004)] is a promising approach for including dispersion in approximate density functional theory exchange-correlation functionals. Indeed, an…

We introduce a new class of Frank-Wolfe algorithms for minimizing differentiable functionals over probability measures. This framework can be shown to encompass a diverse range of tasks in areas such as artificial intelligence,…

We propose a hybrid approach which employs the dynamical mean-field theory (DMFT) self-energy for the correlated, typically rather localized orbitals and a conventional density functional theory (DFT) exchange-correlation potential for the…

We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite…

In this paper, we describe a general algorithmic framework for solving linear signal or feature fusion optimization problems in a distributed setting, for example in a wireless sensor network (WSN). These problems require linearly combining…

In this paper, a cooperative localization algorithm is proposed that considers the existence of obstacles in mobilityassisted wireless sensor networks (WSNs). In this scheme, a mobile anchor (MA) node cooperates with static sensor nodes and…