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Author Archives: Dan Gezelter
Chemicool Periodic Table
Chemistry periodic table (periodic chart) of the elements. Information about hydrogen, oxygen, silver, carbon, aluminum…plus forum, dictionary and tools. Find Chemicool Periodic Table at: http://www.chemicool.com/
Posted in Periodic Tables
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Software Carpentry Course
Greg Wilson pointed me to a new version of the Sofware Carpentry course at (www.swc.scipy.org); it’s all open source, and they’re actively looking for corrections and contributions. Reading through the online course materials, I can say that it is a … Continue reading
A Theory about Questions in Paper Titles
I have this hypothesis about scientific papers: If the title of the paper contains a question, the paper answers the question with a “no”. My own examples: Is the Ewald summation still necessary? Can imaginary frequency instantaneous normal modes predict … Continue reading
Posted in Fun, Science
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Sally Forth and Me…
About these comics: Ces Marciuliano (the writer of Sally Forth) and I shared adjoining dorm rooms when we were undergrads. He’s been dropping his friends’ names in his strips since he took over the gig from Greg Howard, and for … Continue reading
Posted in Fun
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XMD
XMD is a GPL’ed Molecular Dynamics program written in C. It supports the following potentials: pair, EAM, Tersoff and Stillinger-Weber, and implements a large variety of commands to help simplify simulation. Find XMD at: http://xmd.sf.net
Posted in Molecular Dynamics
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Crystal orbital algebraic diagrammatic construction
The CO-ADC program suite has been designed to calculate band structures of semiconducting and insulating crystals. Thereby, the electron correlations are accounted for on ab initio level using the crystal orbital algebraic diagrammatic construction (CO-ADC) scheme. The software comprises an … Continue reading
Posted in Condensed Matter
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Fun with Bessel Functions
Almost everyone has seen that wonderful first picture of a “Quantum Corral” from the now-famous paper by Crommie, Lutz and Eigler (Confinement of electrons to quantum corrals on a metal surface. Science 262, 218-220 (1993)). The surface states of the … Continue reading
Posted in Fun, Science
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Design Patterns for Scientific Software
I’ve been reading a really interesting paper out of a group that’s just across campus from me. The paper is called Design Patterns for Generic Object-Oriented Scientific Software and it comes out of the Izaguirre Group. Design patterns have a … Continue reading
Worm-like chains
BioCurious has a really great review / research article on wormlike chains and the differences in the force-extension relationships between freely-jointed chains and wormlike chains. It is worth a read! [tags]biophysics, DNA[/tags]
Posted in Science
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New Software links
We’ve got two new links today in the software section. iBabel is a Mac front-end to a bunch of cheminformatics tools (i.e. Babel, Jmol, JChemPaint, SMARTS-based substructure searching, etc.). It can be found in our Molecule Viewers and Editors section. … Continue reading
Posted in Software
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