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09 Oct 2007 | | Contributor(s):: Baudilio Tejerina, Jeff Reimers
Semi-empirical Molecular Orbital calculations.
Finite Size Scaling and Quantum Criticality
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02 Jan 2008 | | Contributor(s):: Sabre Kais
In statistical mechanics, the finite size scaling method provides a systematic way to extrapolate information about criticality obtained from a finite system to the thermodynamic limit. For quantum systems, the finite size corresponds not to the spatial dimension but to the number of elements in...
An Experimentalists’ Perspective
19 Dec 2007 | | Contributor(s):: Arunava Majumdar
This presentation was one of 13 presentations in the one-day forum, "Excellence in Computer Simulation," which brought together a broad set of experts to reflect on the future of computational science and engineering.
Charge Transfer Across an Energy Transducing Integral Membrane Protein Complex
31 May 2007 | | Contributor(s):: William A. Cramer
The cytochrome bc complexes of the mitochondrial respiratory and photosynthetic electron transport chains are hetero-oligomeric integral membrane proteins. These proteins are responsible for most of the energy transduction and transport activities across biological membranes. Such complexes...
Electron Emission from Nanoscale Carbon Materials
15 May 2007 | | Contributor(s):: Timothy S Fisher
Prior studies on electron emission show possibly beneficial effects ofnanoscale phenomena on energy-conversion characteristics. For example,recent work has shown that the electric field around a nanoscale fieldemission device can increase the average energy of emitted electrons. Weconsider here...
BNC Annual Research Symposium: Nanoscale Energy Conversion
23 Apr 2007 | | Contributor(s):: Timothy S Fisher
This presentation is part of a collection of presentations describing the projects, people, and capabilities enhanced by research performed in the Birck Center, and a look at plans for the upcoming year.
13 Dec 2006 | | Contributor(s):: John Enriquez
This is the fifth contribution from the students in the University of Texas at El Paso Molecular Electronics course given in the fall of 2006.This introduces nanothermodynamics, the study of small system equilibrium. Nanothermodynamics was established in the early 60’s, but has recently been...