2,128 research outputs found
Regions without complex zeros for chromatic polynomials on graphs with bounded degree
We prove that the chromatic polynomial of a finite graph
of maximal degree \D is free of zeros for \card q\ge C^*(\D)
with C^*(\D) = \min_{0 This improves results by Sokal (2001) and Borgs (2005). Furthermore, we
present a strengthening of this condition for graphs with no triangle-free
vertices.Comment: 14 pages, to appear in Combinatorics, Probability and Computin
Statistical thermodynamic basis in drug-receptor interactions: double annihilation and double decoupling alchemical theories, revisited
Alchemical theory is emerging as a promising tool in the context of molecular
dynamics simulations for drug discovery projects. In this theoretical
contribution, I revisit the statistical mechanics foundation of non covalent
interactions in drug-receptor systems, providing a unifying treatment that
encompasses the most important variants in the alchemical approaches, from the
seminal Double Annihilation Method by Jorgensen and Ravimohan [W.L. Jorgensen
and C. Ravimohan, J. Chem. Phys. 83,3050, 1985], to the Gilson's Double
Decoupling Method [M. K. Gilson and J. A. Given and B. L. Bush and J. A.
McCammon, Biophys. J. 72, 1047 1997] and the Deng and Roux alchemical theory
[Y. Deng and B. Roux, J. Chem. Theory Comput., 2, 1255 2006]. Connections and
differences between the various alchemical approaches are highlighted and
discussed, and finally placed into the broader context of nonequilibrium
thermodynamics.Comment: 25 pages, 4 figure
A correction to a remark in a paper by Procacci and Yuhjtman: new lower bounds for the convergence radius of the virial series
In this note we deduce a new lower bound for the convergence radius of the
Virial series of a continuous system of classical particles interacting via a
stable and tempered pair potential using the estimates on the Mayer
coefficients obtained in the recent paper by Procacci and Yuhjtman (Lett Math
Phys 107:31-46, 2017). This corrects the wrongly optimistic lower bound for the
same radius claimed (but not proved) in the above cited paper (in Remark 2
below Theorem 1). The lower bound for the convergence radius of the Virial
series provided here represents a strong improvement on the classical estimate
given by Lebowitz and Penrose in 1964.Comment: To appear in JS
The analyticity region of the hard sphere gas. Improved bounds
We find an improved estimate of the radius of analyticity of the pressure of
the hard-sphere gas in dimensions. The estimates are determined by the
volume of multidimensional regions that can be numerically computed. For ,
for instance, our estimate is about 40% larger than the classical one.Comment: 4 pages, to appear in Journal of Statistical Physic
Properly coloured copies and rainbow copies of large graphs with small maximum degree
Let G be a graph on n vertices with maximum degree D. We use the Lov\'asz
local lemma to show the following two results about colourings c of the edges
of the complete graph K_n. If for each vertex v of K_n the colouring c assigns
each colour to at most (n-2)/22.4D^2 edges emanating from v, then there is a
copy of G in K_n which is properly edge-coloured by c. This improves on a
result of Alon, Jiang, Miller, and Pritikin [Random Struct. Algorithms 23(4),
409-433, 2003]. On the other hand, if c assigns each colour to at most n/51D^2
edges of K_n, then there is a copy of G in K_n such that each edge of G
receives a different colour from c. This proves a conjecture of Frieze and
Krivelevich [Electron. J. Comb. 15(1), R59, 2008]. Our proofs rely on a
framework developed by Lu and Sz\'ekely [Electron. J. Comb. 14(1), R63, 2007]
for applying the local lemma to random injections. In order to improve the
constants in our results we use a version of the local lemma due to Bissacot,
Fern\'andez, Procacci, and Scoppola [preprint, arXiv:0910.1824].Comment: 9 page
On Lennard-Jones type potentials and hard-core potentials with an attractive tail
We revisit an old tree graph formula, namely the Brydges-Federbush tree
identity, and use it to get new bounds for the convergence radius of the Mayer
series for gases of continuous particles interacting via non absolutely
summable pair potentials with an attractive tail including Lennard-Jones type
pair potentials
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