相关论文: Kekul\'e Cells for Molecular Computation

A switching method is a graph operation that results in cospectral graphs (graphs with the same spectrum). Work by Wang and Xu [Discrete Math. 310 (2010)] suggests that most cospectral graphs with cospectral complements can be constructed…

The emergence of confined structures and pattern formation are exceptional manifestations of concurring nonlinear interactions found in a variety of physical, chemical and biological systems[1]. Optical solitons are a hallmark of extreme…

A single molecule break junction device serves as a tunable model system for probing the many body Kondo state. The low-energy properties of this state are commonly described in terms of a Kondo model, where the response of the system to…

Let $G$ be a graph on $n$ vertices with $r := \lfloor n/2 \rfloor$ and let $\lambda_1 \geq...\geq \lambda_{n} $ be adjacency eigenvalues of $G$. Then the H\"uckel energy of $G$, HE($G$), is defined as $$\he(G) = {ll} 2\sum_{i=1}^{r}…

Introduction of controllable deformations into periodic materials that lead to disclinations in their structure opens novel routes for construction of higher-order topological insulators hosting topological states at disclinations.…

Electron tunneling through a system formed by two coupled quantum dots in a parallel geometry is considered within a generalized Anderson model. The dots are assumed to have nearly equal radii but different (and tunable) gate voltages. In…

A simple graph $G=(V,E)$ is word-representable if there exists a word $w$ over the alphabet $V$ such that letters $x$ and $y$ alternate in $w$ iff $xy\in E$. Word-representable graphs generalize several important classes of graphs. A graph…

Future quantum networks can facilitate communication of quantum information between various nodes. We are particularly interested in whether multiple pairs can communicate simultaneously across a network. Quantum networks can be represented…

Quantum transport properties through single polycyclic hydrocarbon molecules attached to two metallic electrodes are studied by the use of Green's function technique. A parametric approach based on the tight-binding model is introduced to…

We report the experimental demonstration of two quantum networking protocols, namely quantum 1->3 telecloning and open-destination teleportation, implemented using a four-qubit register whose state is encoded in a high-quality two-photon…

Layered transition metal chalcogenides are promising hosts of electronic Weyl nodes and topological superconductivity. MoTe$_2$ is a striking example that harbors both noncentrosymmetric T$_d$ and centrosymmetric T' phases, both of which…

A quantum telecloning process combining quantum teleportation and optimal quantum cloning from one input to M outputs is presented. The scheme relies on the establishment of particular multiparticle entangled states, which function as…

Semiclassical transition probabilities characterize transfer of energy between "hard" and "soft" modes in various physical systems. We establish the boundary problem for singular euclidean solutions used to calculate such probabilities.…

Kekul\'{e}-ordered graphene on SiC realized by intercalating two-dimensional metal layers offers a versatile platform for exploring intriguing quantum states and phenomena. Here, we achieve the intercalation of…

Individual Kekule valence structures of biphenylene and related hydrocarbons are comparatively studied in respect of their total pi-electron energies and thereby relative stabilities. These structures are modeled as sets of…

In current molecular communication (MC) systems, performing computational operations at the nanoscale remains challenging, restricting their applicability in complex scenarios such as adaptive biochemical control and advanced nanoscale…

We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…

An astonishingly diverse biomolecular circuitry orchestrates the functioning machinery underlying every living cell. These biomolecules and their circuits have been engineered not only for various industrial applications but also to perform…

Let $G$ be a graph with adjacency matrix $A$. The transition matrix of $G$ relative to $A$ is defined by $H(t):=\exp{\left(-itA\right)},\;t\in\Rl$. The graph $G$ is said to admit pretty good state transfer between a pair of vertices $u$ and…

Molecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling…