2 search results - page 1 / 1 » Improved grid-based algorithm for Bader charge allocation |
JCC
2007
13 years 4 months ago
2007
: An improvement to the grid-based algorithm of Henkelman et al. for the calculation of Bader volumes is suggested, which more accurately calculates atomic properties as predicted ...
IPPS
2005
IEEE
13 years 10 months ago
2005
IEEE
In this paper we propose two price-based job allocation schemes for computational grids. A grid system tries to solve problems submitted by various grid users by allocating the jo...