Related papers: A Single Twist-Angle Selection Method for the Elec…
The large lattice constant of Moire superlattice formed in twisted bilayer graphene for small twist enables observing the Landau levels splitting into Hofstadter butterflies in energy spectra for moderate magnetic field. This is expected…
Using a recently developed extension of the time-dependent variational principle for matrix product states, we evaluate the dynamics of 2D power-law interacting XXZ models, implementable in a variety of state-of-the-art experimental…
The layering approach used in fused filament fabrication (FFF) enables creation of complex designs generated by topology optimization. Defects associated with the layer-by-layer process, introduce considerable random variability to the…
Selected configuration interaction (SCI) methods are currently enjoying a resurgence due to several recent developments which improve either the overall computational efficiency or the compactness of the resulting SCI vector. These recent…
Moire superlattices are twisted bilayer materials, in which the tunable interlayer quantum confinement offers access to new physics and novel device functionalities. Previously, moire superlattices were built exclusively using materials…
Electronic structure of zinc blende AlN(1-x)$Px alloy has been calculated from first principles. Structural optimisation has been performed within the framework of LDA and the band-gaps calculated with the modified Becke-Jonson (MBJLDA)…
In this paper, the electronic properties of 30{\deg} twisted double bilayer graphene, which loses the translational symmetry due to the incommensurate twist angle, are studied by means of the tight-binding approximation. We demonstrate the…
We study the stability and electronic structure of magic-angle twisted bilayer graphene on the hexagonal boron nitride (TBG/BN). Full relaxation has been performed for commensurate supercells of the heterostructures with different twist…
Twistronics has received much attention as a new method to manipulate the properties of 2D van der Waals structures by introducing moir\'e patterns through a relative rotation between two layers. Here we begin a theoretical exploration of…
From atomic crystals to macroscopic material structures, twisted bilayer systems have emerged as a promising route to control wave phenomena. In few-layer van der Waals (vdW) materials, however, the intrinsically weak interlayer coupling…
This paper introduces Targeted Function Balancing (TFB), a covariate balancing weights framework for estimating the average treatment effect of a binary intervention. TFB first regresses an outcome on covariates, and then selects weights…
Band convergence is an effective strategy to improve the thermoelectric performance of complex bandstructure thermoelectric materials. Half-Heuslers are good candidates for band convergence studies because they have multiple bands near the…
This work investigates the electronic properties of twisted bilayer graphene (TBG) through computational calculations, with the aim of understanding the emergence of flat bands and conditions favorable for superconductivity close to the…
Applying long wavelength periodic potentials on quantum materials has recently been demonstrated to be a promising pathway for engineering novel quantum phases of matter. Here, we utilize twisted bilayer boron nitride (BN) as a moir\'e…
Averaging iterations of Stochastic Gradient Descent (SGD) have achieved empirical success in training deep learning models, such as Stochastic Weight Averaging (SWA), Exponential Moving Average (EMA), and LAtest Weight Averaging (LAWA).…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
Sequentially-built random sphere-packings have been numerically studied in the packing fraction interval $0.329 < \gamma < 0.586$. For that purpose fast running geometrical algorithms have been designed in order to build about 300…
Feature selection has been proven a powerful preprocessing step for high-dimensional data analysis. However, most state-of-the-art methods tend to overlook the structural correlation information between pairwise samples, which may…
Thermodynamic bulk measurements of binding reactions critically rely on the validity of the law of mass action and the assumption of a dilute solution. Yet important biological systems such as allosteric ligand-receptor binding,…
In twisted bilayer graphene, long-wavelength lattice fluctuations on the scale of the moir\'e period are dominated by phason modes, i.e., acoustic branches of the incommensurate lattice resulting from coherent superpositions of optical…