Related papers: Graph theoretical approach to evaluate molecular i…
We present a general theoretical formulation to describe the interlayer interaction in incommensurate bilayer systems with arbitrary crystal structures. By starting from the tight- binding model with the distance-dependent transfer…
Trapped-ion quantum simulators have demonstrated a long history of studying the physics of interacting spin-lattice systems using globally addressed entangling operations. Here, we seek to broaden and delimit the classes of effective…
The atom graph of a graph is the graph whose vertices are the atoms obtained by clique minimal separator decomposition of this graph, and whose edges are the edges of all possible atom trees of this graph. We provide two efficient…
Graph theory provides fundamental concepts for many fields of science like statistical physics, network analysis and theoretical computer science. Here we give a pedagogical introduction to graph theory, divided into three sections. In the…
Counting the number of isomers of a chemical molecule is one of the formative problems of graph theory. However, recent progress has been slow, and the problem has largely been ignored in modern network science. Here we provide an…
We develop a diagrammatic representation of the Casimir energy of a multibody configuration. The diagrams represent multiple reflections between the objects and can be organized by a few simple rules. The lowest-order diagrams (or…
The interaction between electrons and plasmons in trilayer graphene is investigated within the Overhauser approach resulting in the 'plasmaron' quasi-particle. This interaction is cast into a field theoretical problem, nd its effect on the…
We develop a theoretical description of Coulomb interactions between trions (charged excitons) that define a nonlinear optical response in doped two-dimensional semiconductors. First, we formulate a microscopic theory of trion-trion…
The closed integral equations for the interfacial tension as a function of external polarization at the liquid metal - ionic melt interface are derived. The version of Popel'-Pavlov isotherm is applied to the analysis of electrocapillary…
Thermal electronic excitations in metal crystals are calculated by starting with a reference structure for the nuclei: the crystal structure of the appropriate phase. Here we explain the corresponding theory for metal liquids, starting with…
Metabolic networks, formed by a series of metabolic pathways, are made of intracellular and extracellular reactions that determine the biochemical properties of a cell, and by a set of interactions that guide and regulate the activity of…
The defect morphology is an essential aspect of the evolution of crystals' microstructure and its response to stress. Existing methods either only report defect concentration or characterize only some of the defect morphologies. The need…
The Jacobian matrix of a dynamic system and its principal minors play a prominent role in the study of qualitative dynamics and bifurcation analysis. When interpreting the Jacobian as an adjacency matrix of an interaction graph, its…
The interaction between doped graphene nanoislands connected by narrow junctions constitutes an ideal testbed to probe quantum effects in plasmonic systems. Here, the interaction between graphene plasmons in neighboring nanoislands is…
We consider the application of Kramers theory to the microscopic calculation of rates of conformational transitions of macromolecules. The main difficulty in such an approach is to locate the transition state in a huge configuration space.…
Investigations of molecular bonds between single molecules and molecular complexes by the dynamic force spectroscopy are subject to large fluctuations at nanoscale and possible other aspecific binding, which mask the experimental output.…
The application of topology, a branch of mathematics, to the study of electronic states in crystalline materials has had a revolutionary impact on the field of condensed matter physics. For example, the development of topological band…
In this paper we consider Contact graphs of Paths on a Grid (CPG graphs), i.e. graphs for which there exists a family of interiorly disjoint paths on a grid in one-to-one correspondence with their vertex set such that two vertices are…
Circuit topology refers to the arrangement of interactions between objects belonging to a linearly ordered object set. Linearly ordered set of objects are common in nature and occur in a wide range of applications in economics, computer…
Graphs are widely used in various fields of computer science. They have also found application in unrelated areas, leading to a diverse range of problems. These problems can be modeled as relationships between entities in various contexts,…