Interactions of metal‐encapsulated fullerenes with solvents

The present investigation reports on the interaction of M@C₆₀(M = Be, Mg, Ca) with solvents (H₂O, CH₃OH, HF, NH₃) using Density Functional Theory calculations. Our computations reveal that the interaction of the fullerene species increases when endohedral metal atoms are inserted into its cavity. The most profound interaction of the fullerene systems is with water and hydrogen fluoride. © 2008 Wiley Periodicals, Inc. Int J Quantum Chem, 2008     

A cognitively based simulation of academic science

The models used in social simulation to date have mostly been very simplistic cognitively, with little attention paid to the details of individual cognition. This work proposes a more cognitively realistic approach to social simulation. It begins with a model created by Gilbert (1997) for capturing the growth of academic science. Gilbert’s model, which was equation-based, is replaced here by an agent-based model, with the cognitive architecture CLARION providing greater cognitive realism. Using this cognitive agent model, results comparable to previous simulations and to human data are obtained. It is found that while different cognitive settings may affect the aggregate number of scientific articles produced, they do not generally lead to different distributions of number of articles per author. The paper concludes with a discussion of the correspondence between the model and the constructivist view of academic science. It is argued that using more cognitively realistic models in simulations may lead to novel insights. Isaac Naveh obtained a master’s degree in computer science at the University of Missouri. His research interests include hybrid cognitive models and multi-agent learning. Ron Sun is Professor of Cognitive Science at Rensselaer Polytechnic Institute, and formerly the James C. Dowell Professor of Engineering and Professor of Computer Science at University of Missouri-Columbia. He received his Ph.D in 1992 from Brandeis University. His research interest centers around studies of cognition, especially in the areas of cognitive architectures, human reasoning and learning, cognitive social simulation, and hybrid connectionist models. For his paper on integrating rule-based and connectionist models for accounting for human everyday reasoning, he received the 1991 David Marr Award from Cognitive Science Society. He is the founding co-editor-in-chief of the journal Cognitive Systems Research, and also serves on the editorial boards of many other journals. He is the general chair and program chair for CogSci 2006, and a member of the Governing Board of International Neural Networks Society. His URL is: http://www.cogsci.rpi.edu/~rsun     

Pointwise a priori bounds for a strongly coupled system of reaction–diffusion equations with a balance law

We consider a reaction–diffusion system with a full matrix of diffusion coefficients satisfying a balance law on a bounded domain with no-flux boundary conditions. We demonstrate that global solutions exist for polynomial reaction terms provided some conditions on the diffusion coefficients are satisfied. The proof makes use of comparison results and Solonnikov's estimates concerning linear parabolic equations in Banach spaces. © 1998 B. G. Teubner Stuttgart—John Wiley & Sons, Ltd.     

Linearization of analytic isochronous centers from a given commutator

In this paper we propose an algorithmic way to get the change of variables that linearizes an analytic isochronous center from a given commutator. Moreover, we use this method in order to obtain the linearization of some isochronous centers of the existent literature.