Related papers: MLM: Multi-Layer Moire -- A Python Package for Gen…
Magic-angle twisted bilayer graphene (MATBG) stands as one of the most versatile materials in condensed-matter physics due to its hosting of a wide variety of exotic phases while also offering convenient tunability. However, the fabrication…
Moir\'e superlattices are generally assumed to act only at the interface where lattice mismatch or twist occurs. Here, we study charge transport in large-angle helical twisted trilayer graphene, where interlayer tunneling is strongly…
We computer model a free-standing vitreous silica bilayer which has recently been synthesized and characterized experimentally in landmark work. Here we model the bilayer using a computer assembly procedure that starts from a single layer…
The design of absorbing boundary conditions (ABC) in a numerical simulation is a challenging task. In the best cases, spurious reflections remain for some angles of incidence or at certain wave lengths. In the worst, ABC are not even…
Obtaining a rigorous and reliable method for linking computer simulations of polymer blends and composites at different length scales of interest is a highly desirable goal in soft matter physics. In this paper a multiscale modeling…
Twisted bilayers of two-dimensional semiconductors offer a versatile platform to engineer quantum states for charge carriers using moir\'e superlattice effects. Among the systems of recent interest are twistronic MoSe${}_{2}$/WSe${}_{2}$…
We study the commensuration torques and layer sliding energetics of alternating twist trilayer graphene (t3G) and twisted bilayer graphene on hexagonal boron nitride (t2G/BN) that have two superposed moire interfaces. Lattice relaxations…
This review article revisits and outlines the perfectly matched layer (PML) method and its various formulations developed over the past 25 years for the numerical modeling and simulation of wave propagation in unbounded media. Based on the…
Moir\'e superlattices in stacked 2D crystals are powerful platforms for engineering correlated and topological quantum phases, with twisted graphene and transition metal dichalcogenides (TMDs) as prominent examples. Their angle-sensitive…
The supermoir\'e lattice, arising from the interference of multiple moir\'e patterns, dramatically reshapes the electronic band structure by introducing new minibands and modifying band dispersion. Concurrently, strong electronic…
Moir\'e superlattices, engineered through precise stacking of van der Waals (vdW) layers, hold immense promise for exploring strongly correlated and topological phenomena. However, these applications have been held back by the common…
We fabricate a twisted trilayer graphene device with consecutive twist angles of 1.33 and 1.64 degrees, in which we electrostatically tune the electronic states from each of the two co-existing moir\'e superlattices and the interactions…
The relative orientation (twist) of successive layers of stacked two-dimensional (2D) materials creates variations in the interlayer atomic registry. The variations often form a super lattice, called a moir\'e pattern, which can alter…
We propose a new strategy for robust high-quality self-assembly of non-trivial periodic structures out of patchy particles, and investigate it with Brownian Dynamics (BD) simulations. Its first element is the use of specific patch-patch and…
Twisted multilayers of two-dimensional (2D) materials are an increasingly important platform for investigating quantum phases of matter, and in particular, strongly correlated electrons. The moir\'e pattern introduced by the relative twist…
We review the theoretical modelling of moir\'e materials, focusing on various aspects of magic-angle twisted bilayer graphene (MA-TBG) viewed through the lens of Hartree-Fock mean-field theory. We first provide an elementary introduction to…
Metasurfaces are key to the development of flat optics and nanophotonic devices, offering significant advantages in creating structural colors and high-quality factor cavities. Multi-layer metasurfaces (MLMs) further amplify these benefits…
The MIRS software for the modeling of ro-vibrational spectra of polyatomic molecules was considerably extended and improved. The original version (Nikitin, et al. JQSRT, 2003, pp. 239--249) was especially designed for separate or…
Crystalline interfaces are of highly importance in many practical applications. To conduct effective simulation and analysis for coincident site lattice (CSL) interfaces, effective programmes are of high demand in building their CSL…
We present a new multi-layer peeling technique to cluster points in a metric space. A well-known non-parametric objective is to embed the metric space into a simpler structured metric space such as a line (i.e., Linear Arrangement) or a…