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ECIS
2000
13 years 10 months ago
Towards an Entertaining Business Model: A Teaching Case
For managers in established firms the Internet is a tough nut to crack. It is simple to set up a web presence, but difficult to create web-based business models. The brave new worl...
Claudia Löbbecke, Philip Powell
CPHYSICS
2007
103views more  CPHYSICS 2007»
13 years 8 months ago
Algorithms for the evolution of electronic properties in nanocrystals
We illustrate recent progress in developing algorithms for solving the Kohn-Sham problem. Key ingredients of our algorithm include pseudopotentials implemented on a real space gri...
James R. Chelikowsky, Murilo L. Tiago, Yousef Saad...
JCC
2002
73views more  JCC 2002»
13 years 8 months ago
Linear scaling approaches to quantum macromolecular similarity: Evaluating the similarity function
: The evaluation of the electron density based similarity function scales quadratically with respect to the size of the molecules for simplified, atomic shell densities. Due to the...
Pere Constans
VIS
2004
IEEE
148views Visualization» more  VIS 2004»
14 years 10 months ago
Detection and Visualization of Anomalous Structures in Molecular Dynamics Simulation Data
In this article we explore techniques to detect and visualize features in data from molecular dynamics (MD) simulations. Although the techniques proposed are general, we focus on ...
John Wilkins, Kaden Hazzard, Raghu Machiraju, Same...
CDES
2006
99views Hardware» more  CDES 2006»
13 years 10 months ago
Teraflop Computing for Nanoscience
: Over the last three decades there has been significant progress in the first principles methods for calculating the properties of materials at the quantum level. They have largel...
Yang Wang 0008, G. M. Stocks, Aurelian Rusanu, D. ...