Thursday, May 26, 2016

Graph theory - wiki


drawing of a graph
In mathematics and computer sciencegraph theory is the study of graphs, which are mathematical structures used to model pairwise relations between objects. A graph in this context is made up of verticesnodes, or points which are connected by edgesarcs, or lines. A graph may be undirected, meaning that there is no distinction between the two vertices associated with each edge, or its edges may be directed from one vertex to another; see Graph (discrete mathematics)for more detailed definitions and for other variations in the types of graph that are commonly considered. Graphs are one of the prime objects of study in discrete mathematics.
Graph theory is also used to study molecules in chemistry and physics. In condensed matter physics, the three-dimensional structure of complicated simulated atomic structures can be studied quantitatively by gathering statistics on graph-theoretic properties related to the topology of the atoms. In chemistry a graph makes a natural model for a molecule, where vertices represent atoms and edges bonds. This approach is especially used in computer processing of molecular structures, ranging from chemical editors to database searching. In statistical physics, graphs can represent local connections between interacting parts of a system, as well as the dynamics of a physical process on such systems. Similarly, in computational neuroscience graphs can be used to represent functional connections between brain areas that interact to give rise to various cognitive processes, where the vertices represent different areas of the brain and the edges represent the connections between those areas. Graphs are also used to represent the micro-scale channels of porous media, in which the vertices represent the pores and the edges represent the smaller channels connecting the pores.

The Königsberg Bridge problem
The paper written by Leonhard Euler on the Seven Bridges of Königsberg and published in 1736 is regarded as the first paper in the history of graph theory. This paper, as well as the one written byVandermonde on the knight problem, carried on with the analysis situs initiated by Leibniz. Euler's formula relating the number of edges, vertices, and faces of a convex polyhedron was studied and generalized by Cauchy and L'Huillier, and represents the beginning of the branch of mathematics known as topology.

Leonhard Euler (15 April 1707 – 18 September 1783) was a Swiss mathematicianphysicistastronomerlogician and engineer who made important and influential discoveries in many branches of mathematics likeinfinitesimal calculus and graph theory while also making pioneering contributions to several branches such astopology and analytic number theory. He also introduced much of the modern mathematical terminology and notation, particularly for mathematical analysis, such as the notion of amathematical function. He is also known for his work in mechanicsfluid dynamicsopticsastronomy, and music theory.

The Seven Bridges of Königsberg is a historically notable problem in mathematics. Its negative resolution by Leonhard Euler in 1736 laid the foundations of graph theory and prefigured the idea of topology.

knight's tour is a sequence of moves of a knight on a chessboard such that the knight visits every square only once. If the knight ends on a square that is one knight's move from the beginning square (so that it could tour the board again immediately, following the same path), the tour is closed, otherwise it is open.

In mathematicstopology (from theGreek τόπος, place, and λόγος, study) is concerned with the properties of space that are preserved undercontinuous deformations, such as stretching and bending, but not tearing or gluing. This can be studied by considering a collection of subsets, called open sets, that satisfy certain properties, turning the given set into what is known as a topological space. Important topological properties include connectedness and compactness.

More than one century after Euler's paper on the bridges of Königsberg and while Listing was introducing the concept of topology, Cayley was led by an interest in particular analytical forms arising from differential calculus to study a particular class of graphs, the trees. This study had many implications for theoretical chemistry. The techniques he used mainly concern the enumeration of graphs with particular properties. Enumerative graph theory then arose from the results of Cayley and the fundamental results published by Pólya between 1935 and 1937. These were generalized by De Bruijn in 1959. Cayley linked his results on trees with contemporary studies of chemical composition. The fusion of ideas from mathematics with those from chemistry began what has become part of the standard terminology of graph theory.
In particular, the term "graph" was introduced by Sylvester in a paper published in 1878 in Nature, where he draws an analogy between "quantic invariants" and "co-variants" of algebra and molecular diagrams:
"[…] Every invariant and co-variant thus becomes expressible by a graphprecisely identical with a Kekuléan diagram or chemicograph. […] I give a rule for the geometrical multiplication of graphs, i.e. for constructing a graph to the product of in- or co-variants whose separate graphs are given. […]" (italics as in the original).
The first textbook on graph theory was written by Dénes Kőnig, and published in 1936. Another book by Frank Harary, published in 1969, was "considered the world over to be the definitive textbook on the subject", and enabled mathematicians, chemists, electrical engineers and social scientists to talk to each other. Harary donated all of the royalties to fund the Pólya Prize.

Johann Benedict Listing (25 July 1808 – 24 December 1882) was a German mathematician.

In mathematicsdifferential calculus is a subfield of calculus concerned with the study of the rates at which quantities change. It is one of the two traditional divisions of calculus, the other being integral calculus.

In mathematics, and more specifically in graph theory, a tree is an undirected graph in which any two vertices are connected by exactly one path. In other words, any acyclic connected graph is a tree. A forest is a disjoint union of trees.

Further reading:

Topological organic chemistry. 1. Graph theory and topological indices of alkanes


Applications of graph theory in chemistry


[C] Chemical graph theory

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