Related papers: Graph-based linear scaling electronic structure th…
Future quantum computers require a scalable architecture on a scalable technology---one that supports millions of high-performance components. Measurement-based protocols, based on graph states, represent the state of the art in…
Using the framework of Tutte embeddings, we begin an exploration of \emph{quantum graph drawing}, which uses quantum computers to visualize graphs. The main contributions of this paper include formulating a model for quantum graph drawing,…
We introduce a diagrammatic quantum field formalism for the evaluation of normalized expectation values of operators, and suitable for systems with localized electrons. It is used to develop a convergent series expansion for the energy in…
In quantum information theory there is a construction for quantum channels, appropriately called a quantum graph, that generalizes the confusability graph construction for classical channels in classical information theory. In this paper,…
Current paper introduces a Hypergraph Graph model of data storage which can be represented as a hybrid data structure based on Hypergraph and Graph. The pro-posed data structure is claimed to realize complex combinatorial structures. The…
The evaluation of quantum corrections in the theory of the electroweak and strong interactions via higher-order Feynman diagrams requires complicated and laborious calculations, which however can be structured in a strictly algorithmic way.…
In this paper, we extend the sampling theory on graphs by constructing a framework that exploits the structure in product graphs for efficient sampling and recovery of bandlimited graph signals that lie on them. Product graphs are graphs…
The fundamental role of on-shell diagrams in quantum field theory has been recently recognized. On-shell diagrams, or equivalently bipartite graphs, provide a natural bridge connecting gauge theory to powerful mathematical structures such…
We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential is trained using reference data from…
Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…
This paper addresses different aspects of "coupled" model descriptions in computational electromagnetics. This includes domain decomposition, multiscale problems, multiple or hybrid discrete field formulation and multi-physics problems.…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
We propose a scheme to distribute graph states over quantum networks in the presence of noise in the channels and in the operations. The protocol can be implemented efficiently for large graph sates of arbitrary (complex) topology. We…
Graph representations are a powerful concept for solving complex problems across natural science, as patterns of connectivity can give rise to a multitude of emergent phenomena. Graph-based approaches have proven particularly fruitful in…
We review our recently developed electronic structure calculation methods used for the dynamics of large-scale solids or liquids with an efficient algorithm for large scale simultaneous linear equations. The electronic structure calculation…
We present a pedagogical introduction to SU(2) recoupling theory, focusing on those aspects of the topic which are useful for practical calculations in loop quantum gravity. In particular, we give a self-contained presentation of the…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…
We propose a method for characterizing large complex networks by introducing a new matrix structure, unique for a given network, which encodes structural information; provides useful visualization, even for very large networks; and allows…
Topological phases of noninteracting particles are distinguished by global properties of their band structure and eigenfunctions in momentum space. On the other hand, group theory as conventionally applied to solid-state physics focuses…