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Understanding the network structure is critical for controlling and mitigating the spread of infectious diseases. Removing many important links to control the spread of infectious diseases is often more convenient and cost-saving than isolating individuals. Therefore, we develop an algorithm (RW) for identifying important links based on random walks in complex networks. With the guarantee of network connectivity, removing many important links from the network can better reduce the largest eigenvalue of the adjacency matrix, thus increasing the epidemic threshold and reducing the fraction of infected individuals, and further effectively controlling the spread of infectious diseases. In order to verify the effectiveness and scalability of our algorithm, we conducted many experiments on top of a large number of real-world networks and synthesis networks to compare with some classical algorithms. The results show that our algorithm can effectively identify important links to control the spread of infectious diseases in social networks. • An algorithm for identifying important links is proposed. • The algorithm can better improve the epidemic threshold. • The algorithm can effectively control the spread of infectious diseases in social networks. [ABSTRACT FROM AUTHOR]

In this paper, we present a revised version of Phasego 2.0 toolkit which is a package for automatic phase diagram analysis and anharmonic effect corrections. In this new version, the automatic synthesis/decomposition conditions analysis functionality is added to predict the stable field of compounds based on the quasi-harmonic approximation (QHA) or the anharmonic free energy corrections. The analysis about the synthesis/decomposition conditions provides the vital information for new materials design under high pressure and temperature. New version program summary Program Title: Phasego3 Program Files doi: http://dx.doi.org/10.17632/xp7gvmrxrg.1 Licensing provisions: GNU General Public License, version 3 Programming language: Python (versions 2.4 and later) Journal reference of previous version: Computer Physics Communications, 197 (2015) 341 Does the new version supersede the previous version?: Yes External libraries: Numpy [1], Scipy [2], Matplotlib [3] Nature of problem: A compound can be synthesized from different components and at different pressure and temperature conditions. It can also decompose into several possible products at specific pressure and temperature conditions according to the thermodynamic equilibrium relations. There are many possibilities in products when pressure and/or temperature vary. However, it is very complicated to analyze which chemical process can really proceed according to the Gibbs free energy criteria. Solution method: All kinds of possible combinations of reactants/products before/after the synthesis/decomposition of a compound can be automatically analyzed according to the atom number equality of each atom species on the two sides of the chemical equation. The comparison and analysis of the Gibbs free energies among all the possible combinations of reactants/products are automated in the updated version. The boundaries between the compound and the possible combinations of reactants/products can also be plotted and labeled automatically. The reactants for a compound or the decomposition products of a compound can be predicted and located accurately. Reasons for the new version: We have improved the package considerably to perform the synthesis/decomposition conditions analysis for compounds. In the new version, the phase boundaries between the compound and the possible combinations of reactants/products can also be plotted automatically. The reactants for a compound and the decomposition products of a compound can be predicted and located accurately. These functionalities are very helpful to the researchers in the new materials design community. Summary of revisions: • The functionality of synthesis/decomposition conditions analysis is added. • The automatic chemical equations search functionality has been added according to the atom number equality of each atom species on the two sides of a chemical equation. • The phase diagram can be analyzed by taking into account the synthesis/decomposition conditions. • The energy and volume now are treated with per formula unit (f.u.) instead of per atom. • The previously calculated phonon Helmholtz free energies can be imported for further calculations. • Some parameters are renamed or added. • A number of bugs have been corrected. Restrictions: The restrictions are from the phonon DOS calculations. The accuracy of the previously calculated phonon DOS also affects that of the final results. Unusual features: The synthesis/decomposition conditions of compounds can be analyzed and plotted automatically. Additional comments: The new version of this package can perform the synthesis/decomposition conditions analysis based on the free energies calculated from the phonon density of states data from many methods, e.g. the molecular dynamics (MD) simulations [4], the self-consistent ab initio lattice dynamics (SCAILD) calculations [5], or other simulation methods. Running time: The examples provided in the distribution take less than 5 minute to run. References: [1] www.numpy.org . [2] www.scipy.org . [3] www.matplotlib.org . [4] O. Hellman, I. A. Abrikosov, and S. I. Simak, Phys. Rev. B 84 (2011) 180301. [5] Souvatzis, P. and Eriksson, O. and Katsnelson, M. I. and Rudin, S. P., Phys. Rev. Lett., 100 (2008) 095901. [ABSTRACT FROM AUTHOR]