Artículos con la etiqueta ‘Computational Physics (physics.comp-ph)’

The education of Walter Kohn and the creation of density functional theory

Por • 26 mar, 2014 • Category: Leyes

The theoretical solid-state physicist Walter Kohn was awarded one-half of the 1998 Nobel Prize in Chemistry for his mid-1960’s creation of an approach to the many-particle problem in quantum mechanics called density functional theory (DFT). In its exact form, DFT establishes that the total charge density of any system of electrons and nuclei provides all the information needed for a complete description of that system. This was a breakthrough for the study of atoms, molecules, gases, liquids, and solids. Before DFT, it was thought that only the vastly more complicated many-electron wave function was needed for a complete description of such systems. Today, fifty years after its introduction, DFT (in one of its approximate forms) is the method of choice used by most scientists to calculate the physical properties of materials of all kinds. In this paper, I present a biographical essay of Kohn’s educational experiences and professional career up to and including the creation of DFT.



Constructor Theory

Por • 2 nov, 2012 • Category: Opinion

Constructor theory is the theory of which physical transformations can be caused to happen and which cannot, and why. Several converging motivations for expecting it to be a fundamental branch of physics are discussed. Some principles of the theory are proposed and its potential for solving various problems and achieving various unifications is explored.



Predicting Efficiency in master-slave grid computing systems

Por • 23 jul, 2012 • Category: sociologia

This work reports a quantitative analysis to predicting the efficiency of distributed computing running in three models of complex networks: Barab\’asi-Albert, Erd\H{o}s-R\’enyi and Watts-Strogatz. A master/slave computing model is simulated. A node is selected as master and distributes tasks among the other nodes (the clients). Topological measurements associated with the master node (e.g. its degree or betwenness centrality) are extracted and considered as predictors of the total execution time. It is found that the closeness centrality provides the best alternative. The effect of network size was also investigated.