Multireference Stochastic Coupled Cluster.

We describe a modification of the stochastic coupled cluster algorithm that allows the use of multiple reference determinants. By considering the secondary references as excitations of the primary reference and using them to change the acceptance criteria for selection and spawning, we obtain a simple form of stochastic multireference coupled cluster which preserves the appealing aspects of the single-reference approach. The method is able to successfully describe strongly correlated molecular systems using few references and low cluster truncation levels, showing promise as a tool to tackle strong correlation in more general systems. Moreover, it allows simple and comprehensive control of the included references and excitors thereof, and this flexibility can be taken advantage of to gain insight into some of the inner workings of established electronic structure methods

Diagrammatic Coupled Cluster Monte Carlo.

We propose a modified coupled cluster Monte Carlo algorithm that stochastically samples connected terms within the truncated Baker-Campbell-Hausdorff expansion of the similarity-transformed Hamiltonian by construction of coupled cluster diagrams on the fly. Our new approach-diagCCMC-allows propagation to be performed using only the connected components of the similarity-transformed Hamiltonian, greatly reducing the memory cost associated with the stochastic solution of the coupled cluster equations. We show that for perfectly local, noninteracting systems diagCCMC is able to represent the coupled cluster wavefunction with a memory cost that scales linearly with system size. The favorable memory cost is observed with the only assumption of fixed stochastic granularity and is valid for arbitrary levels of coupled cluster theory. Significant reduction in memory cost is also shown to smoothly appear with dissociation of a finite chain of helium atoms. This approach is also shown not to break down in the presence of strong correlation through the example of a stretched nitrogen molecule. Our novel methodology moves the theoretical basis of coupled cluster Monte Carlo closer to deterministic approaches.Sims Fun

Mathematical modeling of the metastatic process

Mathematical modeling in cancer has been growing in popularity and impact since its inception in 1932. The first theoretical mathematical modeling in cancer research was focused on understanding tumor growth laws and has grown to include the competition between healthy and normal tissue, carcinogenesis, therapy and metastasis. It is the latter topic, metastasis, on which we will focus this short review, specifically discussing various computational and mathematical models of different portions of the metastatic process, including: the emergence of the metastatic phenotype, the timing and size distribution of metastases, the factors that influence the dormancy of micrometastases and patterns of spread from a given primary tumor.Comment: 24 pages, 6 figures, Revie

The network structure of visited locations according to geotagged social media photos

Businesses, tourism attractions, public transportation hubs and other points of interest are not isolated but part of a collaborative system. Making such collaborative network surface is not always an easy task. The existence of data-rich environments can assist in the reconstruction of collaborative networks. They shed light into how their members operate and reveal a potential for value creation via collaborative approaches. Social media data are an example of a means to accomplish this task. In this paper, we reconstruct a network of tourist locations using fine-grained data from Flickr, an online community for photo sharing. We have used a publicly available set of Flickr data provided by Yahoo! Labs. To analyse the complex structure of tourism systems, we have reconstructed a network of visited locations in Europe, resulting in around 180,000 vertices and over 32 million edges. An analysis of the resulting network properties reveals its complex structure.Comment: 8 pages, 3 figure