Related papers: A general group theoretical method to unfold band …
In this work, we investigate energy bands in a three dimensional simple cubic lattice of contact potential. The energy bands in the first Brillouin Zone are obtained with Ewald's summation method. In comparison with single point potential,…
We analyze deficiencies of commonly used Coulomb approximations in Generalized Born solvation energy calculation models and report a development of a new fast surface-based method (FSBE) for numerical calculations of the solvation energy of…
We propose a general construction principle which allows to include an infinite number of resonance states into a scattering matrix of hyperbolic type. As a concrete realization of this mechanism we provide new S-matrices generalizing a…
We provide a general method to construct local infrared subtraction counterterms for unresolved radiative contributions to differential cross sections, to any order in perturbation theory. We start from the factorised structure of virtual…
An $\it{ab \,\, initio}$ based fully microscopic many-body approach is used to study the carrier relaxation dynamics in monolayer transition-metal dichalcogenides. Bandstructures and wavefunctions as well as phonon energies and coupling…
In this work, a generalized force-field methodology for the relaxation of large moir\'e heterostructures is proposed. The force-field parameters are optimized to accurately reproduce the structural degrees of freedom of some computationally…
Quantum--Mechanical methods that are both computationally fast and accurate are not yet available for electronic excitations having charge transfer character. In this work, we present a significant step forward towards this goal for those…
We describe algorithms to compute fixed fields, splitting fields and towers of radical extensions without using polynomial factorisation in towers or constructing any field containing the splitting field, instead extending Galois group…
Non-Hermitian systems exhibit diverse graph patterns of energy spectra under open boundary conditions. Here we present an algebraic framework to comprehensively characterize the spectral geometry and graph topology of non-Bloch bands. Using…
An infinite class of $4d$ $\mathcal{N}=1$ gauge theories can be engineered on the worldvolume of D3-branes probing toric Calabi-Yau 3-folds. This kind of setup has multiple applications, ranging from the gauge/gravity correspondence to…
Spectral Method is a commonly used scheme to cluster data points lying close to Union of Subspaces by first constructing a Random Geometry Graph, called Subspace Clustering. This paper establishes a theory to analyze this method. Based on…
A group theoretical mechanism for unification of local gauge and spacetime symmetries is introduced. No-go theorems prohibiting such unification are circumvented by slightly relaxing the usual requirement on the gauge group: only the so…
We generalise Gabidulin codes to the case of infinite fields, eventually with characteristic zero. For this purpose, we consider an abstract field extension and any automorphism in the Galois group. We derive some conditions on the…
Boltzmann transport calculations based on band structures generated with density functional theory (DFT) are often used in the discovery and analysis of thermoelectric materials. In standard implementations, such calculations require dense…
In recent years twisted bi-layers of 2D materials became very popular in the field due to the possibility to totally change their electronic properties by simple rotation. At the same time, in the wide field of photonic crystals, this idea…
We demonstrate a photonic analog of twisted bilayer graphene that has ultra-flat photonic bands and exhibits extreme slow light behavior. Our twisted bilayer photonic device, which has an operating wavelength in C-band of the telecom…
We construct decomposed spectral covers for bundles on elliptically fibered Calabi-Yau threefolds whose structure groups are S(U(1) x U(4)), S(U(2) x U(3)) and S(U(1) x U(1) x U(3)) in heterotic string compactifications. The decomposition…
We generalize the computation of Feynman integrals of log divergent graphs in terms of the Kirchhoff polynomial to the case of graphs with both fermionic and bosonic edges, to which we assign a set of ordinary and Grassmann variables. This…
Motivated by the observation of polarization superlattices in twisted multilayers of hexagonal boron nitride ($h$-BN), we address the possibility of using these heterostructures for tailoring the properties of multilayer graphene by means…
The global R* operation is a powerful method for computing renormalisation group functions. This technique, based on the principle of infrared rearrangement, allows to express all the ultraviolet counterterms in terms of massless propagator…