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MP
2010
172views more  MP 2010»
15 years 4 months ago
Approximation algorithms for homogeneous polynomial optimization with quadratic constraints
In this paper, we consider approximation algorithms for optimizing a generic multi-variate homogeneous polynomial function, subject to homogeneous quadratic constraints. Such opti...
Simai He, Zhening Li, Shuzhong Zhang
JCC
2007
110views more  JCC 2007»
15 years 6 months ago
Improved grid-based algorithm for Bader charge allocation
: 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 ...
Edward Sanville, Steven D. Kenny, Roger Smith, Gra...
ICPP
2006
IEEE
16 years 4 days ago
Designing Multithreaded Algorithms for Breadth-First Search and st-connectivity on the Cray MTA-2
stractions are extensively used to understand and solve challenging computational problems in various scientific and engineering domains. They have particularly gained prominence...
David A. Bader, Kamesh Madduri
IJCNN
2000
IEEE
15 years 10 months ago
Exploiting the Selfish Gene Algorithm for Evolving Cellular Automata
This paper shows an application in the field of Electronic CAD of the Selfish Gene algorithm, an evolutionary algorithm based on a recent interpretation of the Darwinian theory. Te...
Fulvio Corno, Matteo Sonza Reorda, Giovanni Squill...
JCC
2007
151views more  JCC 2007»
15 years 6 months ago
New parallel algorithm for MP2 energy gradient calculations
Abstract: A new parallel algorithm has been developed for calculating the analytic energy derivatives of full accuracy second order Møller-Plesset perturbation theory (MP2). Its m...
Kazuya Ishimura, Peter Pulay, Shigeru Nagase